C071-0582 Screening compound: (E)-[1-(4-fluorophenyl)ethylidene]amino 4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanoate

C071-0582 Screening compound: (E)-[1-(4-fluorophenyl)ethylidene]amino 4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanoate
C071-0582 Screening compound: (E)-[1-(4-fluorophenyl)ethylidene]amino 4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C071-0582
(E)-[1-(4-fluorophenyl)ethylidene]amino 4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanoate

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

C071-0582

Molecular Formula

C25H23F4N3O6S (C25 H23 F4 N3 O6 S)

Compound Name

(E)-[1-(4-fluorophenyl)ethylidene]amino 4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanoate

IUPAC name

(E)-[1-(4-fluorophenyl)ethylidene]amino 4-{[4-(34-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanoate

SMILES

C/C(/c(cc1)ccc1F)=N\OC(CCCS(c1nc(-c(cc2)cc(OC)c2OC)cc(C(F)(F)F)n1)(=O)=O)=O

InChI

InChI=1S/C25H23F4N3O6S/c1-15(16-6-9-18(26)10-7-16)32-38-23(33)5-4-12-39(34,35)24-30-19(14-22(31-24)25(27,28)29)17-8-11-20(36-2)21(13-17)37-3/h6-11,13-14H,4-5,12H2,1-3H3

InChI Key

HCRAPRXDQDSZFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

569.53

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.228

Distribution Coefficient, logD

4.228

Water Solubility, LogSw

-4.39

Polar Surface Area

93.099

Acid Dissociation Constant (pKa)

20.71

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

C071-0582 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 C071-0582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C071-0582?
Check Price and Availability of C071-0582, 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 C071-0582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C071-0582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C071-0582
  • 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 C071-0582 available by request