C071-0424 Screening compound: N-{3-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}-4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamide

C071-0424 Screening compound: N-{3-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}-4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamide
C071-0424 Screening compound: N-{3-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}-4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C071-0424
N-{3-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}-4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}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

C071-0424

Molecular Formula

C28H22ClF3N4O6S2 (C28 H22 ClF3 N4 O6 S2)

Compound Name

N-{3-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}-4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamide

IUPAC name

N-{3-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}-4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamide

SMILES

COc(cccc1)c1-c1cc(C(F)(F)F)nc(S(CCCC(Nc2cc(Sc(cc3)ccc3Cl)cc([N+]([O-])=O)c2)=O)(=O)=O)n1

InChI

InChI=1S/C28H22ClF3N4O6S2/c1-42-24-6-3-2-5-22(24)23-16-25(28(30,31)32)35-27(34-23)44(40,41)12-4-7-26(37)33-18-13-19(36(38)39)15-21(14-18)43-20-10-8-17(29)9-11-20/h2-3,5-6,8-11,13-16H,4,7,12H2,1H3,(H,33,37)

InChI Key

JWHZTOGQTRSEJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716537

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

667.09

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.475

Distribution Coefficient, logD

6.474

Water Solubility, LogSw

-6.17

Polar Surface Area

110.742

Acid Dissociation Constant (pKa)

9.93

Base Dissociation Constant (pKb)

-3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

C071-0424 in Drug Discovery

Included in Screening Libraries

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

?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 C071-0424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C071-0424?
Check Price and Availability of C071-0424, 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 C071-0424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C071-0424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C071-0424
  • 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 C071-0424 available by request