T828-0160 Screening compound: N-[2-(5-METHOXY-1H-INDOL-3-YL)ETHYL]-2-(PYRROLIDIN-1-YL)-5,6,7,8-TETRAHYDROQUINAZOLINE-6-CARBOXAMIDE

T828-0160 Screening compound: N-[2-(5-METHOXY-1H-INDOL-3-YL)ETHYL]-2-(PYRROLIDIN-1-YL)-5,6,7,8-TETRAHYDROQUINAZOLINE-6-CARBOXAMIDE
T828-0160 Screening compound: N-[2-(5-METHOXY-1H-INDOL-3-YL)ETHYL]-2-(PYRROLIDIN-1-YL)-5,6,7,8-TETRAHYDROQUINAZOLINE-6-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound T828-0160
N-[2-(5-METHOXY-1H-INDOL-3-YL)ETHYL]-2-(PYRROLIDIN-1-YL)-5,6,7,8-TETRAHYDROQUINAZOLINE-6-CARBOXAMIDE

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

T828-0160

Molecular Formula

C24H29N5O2 (C24 H29 N5 O2)

Compound Name

N-[2-(5-METHOXY-1H-INDOL-3-YL)ETHYL]-2-(PYRROLIDIN-1-YL)-5,6,7,8-TETRAHYDROQUINAZOLINE-6-CARBOXAMIDE

IUPAC name

n/a

SMILES

COc(cc1)cc2c1[nH]cc2CCNC(C(CC1)Cc2c1nc(N1CCCC1)nc2)=O

InChI

InChI=1S/C24H29N5O2/c1-31-19-5-7-22-20(13-19)17(14-26-22)8-9-25-23(30)16-4-6-21-18(12-16)15-27-24(28-21)29-10-2-3-11-29/h5,7,13-16,26H,2-4,6,8-12H2,1H3,(H,25,30)/t16-/m0/s1

InChI Key

CVJNIYYGJOBZMO-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27623820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.109

Distribution Coefficient, logD

3.109

Water Solubility, LogSw

-3.15

Polar Surface Area

65.168

Acid Dissociation Constant (pKa)

13.25

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

T828-0160 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Indole Derivatives (10091 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T828-0160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T828-0160?
Check Price and Availability of T828-0160, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of T828-0160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T828-0160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T828-0160
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of T828-0160 available by request