D354-0092 Screening compound: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide

D354-0092 Screening compound: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide
D354-0092 Screening compound: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D354-0092
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3-fluoro-4-methylphenyl)-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

D354-0092

Molecular Formula

C20H18FN3O3S (C20 H18 FN3 O3 S)

Compound Name

N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide

IUPAC name

N-(3-carbamoyl-4567-tetrahydro-1-benzothiophen-2-yl)-5-(3-fluoro-4-methylphenyl)-12-oxazole-3-carboxamide

SMILES

Cc(ccc(-c1cc(C(Nc2c(C(N)=O)c(CCCC3)c3s2)=O)no1)c1)c1F

InChI

InChI=1S/C20H18FN3O3S/c1-10-6-7-11(8-13(10)21)15-9-14(24-27-15)19(26)23-20-17(18(22)25)12-4-2-3-5-16(12)28-20/h6-9H,2-5H2,1H3,(H2,22,25)(H,23,26)

InChI Key

PRISLJAPHSYCRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08546995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.380

Distribution Coefficient, logD

2.950

Water Solubility, LogSw

-3.95

Polar Surface Area

78.639

Acid Dissociation Constant (pKa)

7.17

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D354-0092 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D354-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D354-0092?
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What is the minimum amount of D354-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D354-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D354-0092
  • 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 D354-0092 available by request