D354-0091 Screening compound: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide

D354-0091 Screening compound: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide
D354-0091 Screening compound: N-(3-cyano-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 D354-0091
N-(3-cyano-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

D354-0091

Molecular Formula

C20H16FN3O2S (C20 H16 FN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(-c1cc(C(Nc(sc2c3CCCC2)c3C#N)=O)no1)c1)c1F

InChI

InChI=1S/C20H16FN3O2S/c1-11-6-7-12(8-15(11)21)17-9-16(24-26-17)19(25)23-20-14(10-22)13-4-2-3-5-18(13)27-20/h6-9H,2-5H2,1H3,(H,23,25)

InChI Key

HEGGDOQCWMBXOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08546987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.062

Distribution Coefficient, logD

3.771

Water Solubility, LogSw

-4.78

Polar Surface Area

61.636

Acid Dissociation Constant (pKa)

6.13

Base Dissociation Constant (pKb)

-6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with D354-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D354-0091?
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What is the minimum amount of D354-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D354-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D354-0091
  • 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 D354-0091 available by request