T505-2749 Screening compound: N-(cyclopropylmethyl)-1-(2-{1-[2-(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]piperidin-2-yl}ethyl)-1H-1,2,3-triazole-4-carboxamide

T505-2749 Screening compound: N-(cyclopropylmethyl)-1-(2-{1-[2-(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]piperidin-2-yl}ethyl)-1H-1,2,3-triazole-4-carboxamide
T505-2749 Screening compound: N-(cyclopropylmethyl)-1-(2-{1-[2-(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]piperidin-2-yl}ethyl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T505-2749
N-(cyclopropylmethyl)-1-(2-{1-[2-(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]piperidin-2-yl}ethyl)-1H-1,2,3-triazole-4-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

T505-2749

Molecular Formula

C21H31N7O2 (C21 H31 N7 O2)

Compound Name

N-(cyclopropylmethyl)-1-(2-{1-[2-(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]piperidin-2-yl}ethyl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

N-(cyclopropylmethyl)-1-(2-{1-[2-(35-dimethyl-1H-pyrazol-1-yl)acetyl]piperidin-2-yl}ethyl)-1H-123-triazole-4-carboxamide

SMILES

Cc1cc(C)nn1CC(N1C(CCn2nnc(C(NCC3CC3)=O)c2)CCCC1)=O

InChI

InChI=1S/C21H31N7O2/c1-15-11-16(2)28(24-15)14-20(29)27-9-4-3-5-18(27)8-10-26-13-19(23-25-26)21(30)22-12-17-6-7-17/h11,13,17-18H,3-10,12,14H2,1-2H3,(H,22,30)/t18-/m1/s1

InChI Key

RSNGJDQOMRJQKI-GOSISDBHSA-N

MDL Number (MFCD)

MFCD31999189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.731

Distribution Coefficient, logD

0.731

Water Solubility, LogSw

-1.58

Polar Surface Area

81.441

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

T505-2749 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with T505-2749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T505-2749?
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What is the minimum amount of T505-2749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T505-2749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T505-2749
  • 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 T505-2749 available by request