C071-0464 Screening compound: (propan-2-ylidene)amino 4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanoate

C071-0464 Screening compound: (propan-2-ylidene)amino 4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanoate
C071-0464 Screening compound: (propan-2-ylidene)amino 4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C071-0464
(propan-2-ylidene)amino 4-{[4-(2-methoxyphenyl)-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

C071-0464

Molecular Formula

C19H20F3N3O5S (C19 H20 F3 N3 O5 S)

Compound Name

(propan-2-ylidene)amino 4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanoate

IUPAC name

(propan-2-ylidene)amino 4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanoate

SMILES

CC(C)=NOC(CCCS(c1nc(-c(cccc2)c2OC)cc(C(F)(F)F)n1)(=O)=O)=O

InChI

InChI=1S/C19H20F3N3O5S/c1-12(2)25-30-17(26)9-6-10-31(27,28)18-23-14(11-16(24-18)19(20,21)22)13-7-4-5-8-15(13)29-3/h4-5,7-8,11H,6,9-10H2,1-3H3

InChI Key

DWLDLQDDLMAFEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164184

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.901

Distribution Coefficient, logD

2.901

Water Solubility, LogSw

-3.52

Polar Surface Area

85.510

Acid Dissociation Constant (pKa)

20.71

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

C071-0464 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C071-0464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C071-0464?
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What is the minimum amount of C071-0464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C071-0464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C071-0464
  • 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 C071-0464 available by request