D337-1558 Screening compound: 5-(3,4-dimethylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,2-oxazole-3-carboxamide

D337-1558 Screening compound: 5-(3,4-dimethylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,2-oxazole-3-carboxamide
D337-1558 Screening compound: 5-(3,4-dimethylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D337-1558
5-(3,4-dimethylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,2-oxazole-3-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

D337-1558

Molecular Formula

C22H23N3O3S (C22 H23 N3 O3 S)

Compound Name

5-(3,4-dimethylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,2-oxazole-3-carboxamide

IUPAC name

5-(34-dimethylphenyl)-N-[3-(methylcarbamoyl)-4567-tetrahydro-1-benzothiophen-2-yl]-12-oxazole-3-carboxamide

SMILES

Cc(cc1)c(C)cc1-c1cc(C(Nc2c(C(NC)=O)c(CCCC3)c3s2)=O)no1

InChI

InChI=1S/C22H23N3O3S/c1-12-8-9-14(10-13(12)2)17-11-16(25-28-17)20(26)24-22-19(21(27)23-3)15-6-4-5-7-18(15)29-22/h8-11H,4-7H2,1-3H3,(H,23,27)(H,24,26)

InChI Key

CFQAZPDPADYMKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12915277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.650

Distribution Coefficient, logD

3.815

Water Solubility, LogSw

-4.55

Polar Surface Area

69.415

Acid Dissociation Constant (pKa)

6.63

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

D337-1558 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D337-1558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D337-1558?
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What is the minimum amount of D337-1558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D337-1558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D337-1558
  • 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 D337-1558 available by request