C071-0647 Screening compound: 4-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}-N-(3,4,5-trimethoxyphenyl)butanamide

C071-0647 Screening compound: 4-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}-N-(3,4,5-trimethoxyphenyl)butanamide
C071-0647 Screening compound: 4-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}-N-(3,4,5-trimethoxyphenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C071-0647
4-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}-N-(3,4,5-trimethoxyphenyl)butanamide

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

C071-0647

Molecular Formula

C22H22F3N3O6S2 (C22 H22 F3 N3 O6 S2)

Compound Name

4-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}-N-(3,4,5-trimethoxyphenyl)butanamide

IUPAC name

4-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}-N-(345-trimethoxyphenyl)butanamide

SMILES

COc1cc(NC(CCCS(c2nc(-c3cccs3)cc(C(F)(F)F)n2)(=O)=O)=O)cc(OC)c1OC

InChI

InChI=1S/C22H22F3N3O6S2/c1-32-15-10-13(11-16(33-2)20(15)34-3)26-19(29)7-5-9-36(30,31)21-27-14(17-6-4-8-35-17)12-18(28-21)22(23,24)25/h4,6,8,10-12H,5,7,9H2,1-3H3,(H,26,29)

InChI Key

JGMSCQZXNAYWLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.104

Distribution Coefficient, logD

3.100

Water Solubility, LogSw

-3.59

Polar Surface Area

93.998

Acid Dissociation Constant (pKa)

9.43

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C071-0647 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Antibacterial Compounds Library (13827 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C071-0647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C071-0647?
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What is the minimum amount of C071-0647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C071-0647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C071-0647
  • 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 C071-0647 available by request