2542-3948 Screening compound: (2Z)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-3-{[3-(trifluoromethyl)phenyl]amino}prop-2-enenitrile

2542-3948 Screening compound: (2Z)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-3-{[3-(trifluoromethyl)phenyl]amino}prop-2-enenitrile
2542-3948 Screening compound: (2Z)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-3-{[3-(trifluoromethyl)phenyl]amino}prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2542-3948
(2Z)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-3-{[3-(trifluoromethyl)phenyl]amino}prop-2-enenitrile

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

2542-3948

Molecular Formula

C19H11F3N4O2S (C19 H11 F3 N4 O2 S)

Compound Name

(2Z)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-3-{[3-(trifluoromethyl)phenyl]amino}prop-2-enenitrile

IUPAC name

(2Z)-2-[4-(4-nitrophenyl)-13-thiazol-2-yl]-3-{[3-(trifluoromethyl)phenyl]amino}prop-2-enenitrile

SMILES

N#C/C(/c1nc(-c(cc2)ccc2[N+]([O-])=O)cs1)=C/Nc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C19H11F3N4O2S/c20-19(21,22)14-2-1-3-15(8-14)24-10-13(9-23)18-25-17(11-29-18)12-4-6-16(7-5-12)26(27)28/h1-8,10-11,24H

InChI Key

VQNIVSSAFHLINN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01932342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.970

Distribution Coefficient, logD

5.970

Water Solubility, LogSw

-6.42

Polar Surface Area

71.739

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

References: we are preparing a list of scientific research reports with 2542-3948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2542-3948?
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What is the minimum amount of 2542-3948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2542-3948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2542-3948
  • 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 2542-3948 available by request