D178-0013 Screening compound: N-{4-[(3-chloro-4-methylphenyl)carbamoyl]phenyl}-3,4-dihydro-1H-2-benzopyran-1-carboxamide

D178-0013 Screening compound: N-{4-[(3-chloro-4-methylphenyl)carbamoyl]phenyl}-3,4-dihydro-1H-2-benzopyran-1-carboxamide
D178-0013 Screening compound: N-{4-[(3-chloro-4-methylphenyl)carbamoyl]phenyl}-3,4-dihydro-1H-2-benzopyran-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D178-0013
N-{4-[(3-chloro-4-methylphenyl)carbamoyl]phenyl}-3,4-dihydro-1H-2-benzopyran-1-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

D178-0013

Molecular Formula

C24H21ClN2O3 (C24 H21 ClN2 O3)

Compound Name

N-{4-[(3-chloro-4-methylphenyl)carbamoyl]phenyl}-3,4-dihydro-1H-2-benzopyran-1-carboxamide

IUPAC name

N-{4-[(3-chloro-4-methylphenyl)carbamoyl]phenyl}-34-dihydro-1H-2-benzopyran-1-carboxamide

SMILES

Cc(ccc(NC(c(cc1)ccc1NC(C1OCCc2c1cccc2)=O)=O)c1)c1Cl

InChI

InChI=1S/C24H21ClN2O3/c1-15-6-9-19(14-21(15)25)27-23(28)17-7-10-18(11-8-17)26-24(29)22-20-5-3-2-4-16(20)12-13-30-22/h2-11,14,22H,12-13H2,1H3,(H,26,29)(H,27,28)/t22-/m1/s1

InChI Key

GWKFGIQEWGTUKC-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14813619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.164

Distribution Coefficient, logD

5.144

Water Solubility, LogSw

-5.66

Polar Surface Area

54.811

Acid Dissociation Constant (pKa)

8.71

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

D178-0013 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with D178-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D178-0013?
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What is the minimum amount of D178-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D178-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D178-0013
  • 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 D178-0013 available by request