C071-0550 Screening compound: ethyl 4-carbamoyl-5-(4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)-3-methylthiophene-2-carboxylate

C071-0550 Screening compound: ethyl 4-carbamoyl-5-(4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)-3-methylthiophene-2-carboxylate
C071-0550 Screening compound: ethyl 4-carbamoyl-5-(4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)-3-methylthiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C071-0550
ethyl 4-carbamoyl-5-(4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)-3-methylthiophene-2-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

C071-0550

Molecular Formula

C26H27F3N4O8S2 (C26 H27 F3 N4 O8 S2)

Compound Name

ethyl 4-carbamoyl-5-(4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)-3-methylthiophene-2-carboxylate

IUPAC name

ethyl 4-carbamoyl-5-(4-{[4-(34-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)-3-methylthiophene-2-carboxylate

SMILES

CCOC(c1c(C)c(C(N)=O)c(NC(CCCS(c2nc(-c(cc3)cc(OC)c3OC)cc(C(F)(F)F)n2)(=O)=O)=O)s1)=O

InChI

InChI=1S/C26H27F3N4O8S2/c1-5-41-24(36)21-13(2)20(22(30)35)23(42-21)33-19(34)7-6-10-43(37,38)25-31-15(12-18(32-25)26(27,28)29)14-8-9-16(39-3)17(11-14)40-4/h8-9,11-12H,5-7,10H2,1-4H3,(H2,30,35)(H,33,34)

InChI Key

XNZFOOAZBTVODF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

644.65

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.994

Distribution Coefficient, logD

1.053

Water Solubility, LogSw

-2.95

Polar Surface Area

139.870

Acid Dissociation Constant (pKa)

6.51

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

C071-0550 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C071-0550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C071-0550?
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What is the minimum amount of C071-0550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C071-0550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C071-0550
  • 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 C071-0550 available by request