T853-0145 Screening compound: 1-ethyl-N~4a~-(3-isopropoxypropyl)-2-oxo-1,3,4,5,6,7-hexahydro-4a(2H)-quinolinecarboxamide

T853-0145 Screening compound: 1-ethyl-N~4a~-(3-isopropoxypropyl)-2-oxo-1,3,4,5,6,7-hexahydro-4a(2H)-quinolinecarboxamide
T853-0145 Screening compound: 1-ethyl-N~4a~-(3-isopropoxypropyl)-2-oxo-1,3,4,5,6,7-hexahydro-4a(2H)-quinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T853-0145
1-ethyl-N~4a~-(3-isopropoxypropyl)-2-oxo-1,3,4,5,6,7-hexahydro-4a(2H)-quinolinecarboxamide

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

T853-0145

Molecular Formula

C18H30N2O3 (C18 H30 N2 O3)

Compound Name

1-ethyl-N~4a~-(3-isopropoxypropyl)-2-oxo-1,3,4,5,6,7-hexahydro-4a(2H)-quinolinecarboxamide

IUPAC name

1-ethyl-2-oxo-N-[3-(propan-2-yloxy)propyl]-12344a567-octahydroquinoline-4a-carboxamide

SMILES

CCN(C(CC1)=O)C2=CCCCC12C(NCCCOC(C)C)=O

InChI

InChI=1S/C18H30N2O3/c1-4-20-15-8-5-6-10-18(15,11-9-16(20)21)17(22)19-12-7-13-23-14(2)3/h8,14H,4-7,9-13H2,1-3H3,(H,19,22)/t18-/m1/s1

InChI Key

PMXTWWKTQBXBPD-GOSISDBHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.180

Distribution Coefficient, logD

2.180

Water Solubility, LogSw

-2.28

Polar Surface Area

47.353

Acid Dissociation Constant (pKa)

13.84

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

77.78

T853-0145 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with T853-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T853-0145?
Check Price and Availability of T853-0145, 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 T853-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T853-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T853-0145
  • 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 T853-0145 available by request