C071-0674 Screening compound: ethyl 2-(4-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

C071-0674 Screening compound: ethyl 2-(4-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
C071-0674 Screening compound: ethyl 2-(4-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C071-0674
ethyl 2-(4-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

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

C071-0674

Molecular Formula

C23H22F3N3O5S3 (C23 H22 F3 N3 O5 S3)

Compound Name

ethyl 2-(4-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

IUPAC name

ethyl 2-(4-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)-4H5H6H-cyclopenta[b]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CCCS(c2nc(-c3cccs3)cc(C(F)(F)F)n2)(=O)=O)=O)sc2c1CCC2)=O

InChI

InChI=1S/C23H22F3N3O5S3/c1-2-34-21(31)19-13-6-3-7-15(13)36-20(19)29-18(30)9-5-11-37(32,33)22-27-14(16-8-4-10-35-16)12-17(28-22)23(24,25)26/h4,8,10,12H,2-3,5-7,9,11H2,1H3,(H,29,30)

InChI Key

KGDMETQJVHTOOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

573.64

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.405

Distribution Coefficient, logD

1.246

Water Solubility, LogSw

-4.40

Polar Surface Area

91.855

Acid Dissociation Constant (pKa)

4.24

Base Dissociation Constant (pKb)

-5.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

C071-0674 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C071-0674 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C071-0674?
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What is the minimum amount of C071-0674 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C071-0674
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C071-0674
  • 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 C071-0674 available by request