C071-0673 Screening compound: propan-2-yl 5-carbamoyl-4-methyl-2-(4-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)thiophene-3-carboxylate

C071-0673 Screening compound: propan-2-yl 5-carbamoyl-4-methyl-2-(4-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)thiophene-3-carboxylate
C071-0673 Screening compound: propan-2-yl 5-carbamoyl-4-methyl-2-(4-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C071-0673
propan-2-yl 5-carbamoyl-4-methyl-2-(4-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)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

C071-0673

Molecular Formula

C23H23F3N4O6S3 (C23 H23 F3 N4 O6 S3)

Compound Name

propan-2-yl 5-carbamoyl-4-methyl-2-(4-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)thiophene-3-carboxylate

IUPAC name

propan-2-yl 5-carbamoyl-4-methyl-2-(4-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)thiophene-3-carboxylate

SMILES

CC(C)OC(c1c(NC(CCCS(c2nc(-c3cccs3)cc(C(F)(F)F)n2)(=O)=O)=O)sc(C(N)=O)c1C)=O

InChI

InChI=1S/C23H23F3N4O6S3/c1-11(2)36-21(33)17-12(3)18(19(27)32)38-20(17)30-16(31)7-5-9-39(34,35)22-28-13(14-6-4-8-37-14)10-15(29-22)23(24,25)26/h4,6,8,10-11H,5,7,9H2,1-3H3,(H2,27,32)(H,30,31)

InChI Key

DPSCLLKLULDHCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

604.65

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.267

Distribution Coefficient, logD

-0.718

Water Solubility, LogSw

-3.71

Polar Surface Area

125.306

Acid Dissociation Constant (pKa)

3.41

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

C071-0673 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C071-0673 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C071-0673?
Check Price and Availability of C071-0673, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C071-0673 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C071-0673
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C071-0673
  • 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 C071-0673 available by request