D429-0308 Screening compound: 3-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carboxamide

D429-0308 Screening compound: 3-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carboxamide
D429-0308 Screening compound: 3-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D429-0308
3-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-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

D429-0308

Molecular Formula

C24H20ClNO3 (C24 H20 ClNO3)

Compound Name

3-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carboxamide

IUPAC name

3-(4-chlorophenyl)-N-(23-dimethylphenyl)-1-oxo-34-dihydro-1H-2-benzopyran-6-carboxamide

SMILES

Cc1cccc(NC(c(cc2)cc(CC(c(cc3)ccc3Cl)O3)c2C3=O)=O)c1C

InChI

InChI=1S/C24H20ClNO3/c1-14-4-3-5-21(15(14)2)26-23(27)17-8-11-20-18(12-17)13-22(29-24(20)28)16-6-9-19(25)10-7-16/h3-12,22H,13H2,1-2H3,(H,26,27)/t22-/m0/s1

InChI Key

NOSNKLHVLWOWBR-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD10082175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.995

Distribution Coefficient, logD

5.994

Water Solubility, LogSw

-6.18

Polar Surface Area

43.184

Acid Dissociation Constant (pKa)

10.48

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

D429-0308 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D429-0308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D429-0308?
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What is the minimum amount of D429-0308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D429-0308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D429-0308
  • 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 D429-0308 available by request