D308-0072 Screening compound: N-(4-chlorophenyl)-2-{[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}propanamide

D308-0072 Screening compound: N-(4-chlorophenyl)-2-{[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}propanamide
D308-0072 Screening compound: N-(4-chlorophenyl)-2-{[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D308-0072
N-(4-chlorophenyl)-2-{[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}propanamide

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

D308-0072

Molecular Formula

C19H15ClN4OS (C19 H15 ClN4 OS)

Compound Name

N-(4-chlorophenyl)-2-{[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}propanamide

IUPAC name

N-(4-chlorophenyl)-2-{[124]triazolo[43-a]quinolin-1-ylsulfanyl}propanamide

SMILES

CC(C(Nc(cc1)ccc1Cl)=O)Sc1nnc2n1c(cccc1)c1cc2

InChI

InChI=1S/C19H15ClN4OS/c1-12(18(25)21-15-9-7-14(20)8-10-15)26-19-23-22-17-11-6-13-4-2-3-5-16(13)24(17)19/h2-12H,1H3,(H,21,25)/t12-/m0/s1

InChI Key

AKJLDBYCELYVGQ-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD06488634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.483

Distribution Coefficient, logD

4.482

Water Solubility, LogSw

-4.64

Polar Surface Area

44.445

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.50

D308-0072 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D308-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D308-0072?
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What is the minimum amount of D308-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D308-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D308-0072
  • 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 D308-0072 available by request