D731-0292 Screening compound: 1-oxo-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide

D731-0292 Screening compound: 1-oxo-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide
D731-0292 Screening compound: 1-oxo-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0292
1-oxo-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-3-phenyl-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

D731-0292

Molecular Formula

C21H17N3O4S (C21 H17 N3 O4 S)

Compound Name

1-oxo-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide

IUPAC name

1-oxo-N-[3-(2-oxopropyl)-124-thiadiazol-5-yl]-3-phenyl-34-dihydro-1H-2-benzopyran-6-carboxamide

SMILES

CC(Cc1nsc(NC(c(cc2)cc(CC(c3ccccc3)O3)c2C3=O)=O)n1)=O

InChI

InChI=1S/C21H17N3O4S/c1-12(25)9-18-22-21(29-24-18)23-19(26)14-7-8-16-15(10-14)11-17(28-20(16)27)13-5-3-2-4-6-13/h2-8,10,17H,9,11H2,1H3,(H,22,23,24,26)/t17-/m1/s1

InChI Key

YFOFMXDZSHPTBM-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD06673437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.455

Distribution Coefficient, logD

2.567

Water Solubility, LogSw

-3.78

Polar Surface Area

79.067

Acid Dissociation Constant (pKa)

6.57

Base Dissociation Constant (pKb)

-5.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

D731-0292 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antifungal Library (16415 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with D731-0292 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0292?
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What is the minimum amount of D731-0292 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0292
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0292
  • 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 D731-0292 available by request