8014-0922 Screening compound: ethyl 5-[(cyclohexylamino)carbonyl]-2-[(4-fluorobenzoyl)amino]-4-methyl-3-thiophenecarboxylate

8014-0922 Screening compound: ethyl 5-[(cyclohexylamino)carbonyl]-2-[(4-fluorobenzoyl)amino]-4-methyl-3-thiophenecarboxylate
8014-0922 Screening compound: ethyl 5-[(cyclohexylamino)carbonyl]-2-[(4-fluorobenzoyl)amino]-4-methyl-3-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-0922
ethyl 5-[(cyclohexylamino)carbonyl]-2-[(4-fluorobenzoyl)amino]-4-methyl-3-thiophenecarboxylate

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

8014-0922

Molecular Formula

C22H25FN2O4S (C22 H25 FN2 O4 S)

Compound Name

ethyl 5-[(cyclohexylamino)carbonyl]-2-[(4-fluorobenzoyl)amino]-4-methyl-3-thiophenecarboxylate

IUPAC name

ethyl 5-(cyclohexylcarbamoyl)-2-(4-fluorobenzamido)-4-methylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c(cc2)ccc2F)=O)sc(C(NC2CCCCC2)=O)c1C)=O

InChI

InChI=1S/C22H25FN2O4S/c1-3-29-22(28)17-13(2)18(20(27)24-16-7-5-4-6-8-16)30-21(17)25-19(26)14-9-11-15(23)12-10-14/h9-12,16H,3-8H2,1-2H3,(H,24,27)(H,25,26)

InChI Key

ROBAURRMMKGTQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03312418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.435

Distribution Coefficient, logD

-0.267

Water Solubility, LogSw

-4.34

Polar Surface Area

68.016

Acid Dissociation Constant (pKa)

2.70

Base Dissociation Constant (pKb)

3.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

8014-0922 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8014-0922 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-0922?
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What is the minimum amount of 8014-0922 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-0922
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-0922
  • 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 8014-0922 available by request