Y032-3163 Screening compound: (E)-3-(2-nitrophenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-2-propenamide

Y032-3163 Screening compound: (E)-3-(2-nitrophenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-2-propenamide
Y032-3163 Screening compound: (E)-3-(2-nitrophenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-2-propenamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-3163
(E)-3-(2-nitrophenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-2-propenamide

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

Y032-3163

Molecular Formula

C12H7F3N4O3S (C12 H7 F3 N4 O3 S)

Compound Name

(E)-3-(2-nitrophenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-2-propenamide

IUPAC name

(2E)-3-(2-nitrophenyl)-N-[5-(trifluoromethyl)-134-thiadiazol-2-yl]prop-2-enamide

SMILES

[O-][N+](c1c(/C=C/C(Nc2nnc(C(F)(F)F)s2)=O)cccc1)=O

InChI

InChI=1S/C12H7F3N4O3S/c13-12(14,15)10-17-18-11(23-10)16-9(20)6-5-7-3-1-2-4-8(7)19(21)22/h1-6H,(H,16,18,20)

InChI Key

FSTFTGDBEUMBOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03639057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.493

Distribution Coefficient, logD

1.519

Water Solubility, LogSw

-3.86

Polar Surface Area

79.742

Acid Dissociation Constant (pKa)

5.43

Base Dissociation Constant (pKb)

-2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.33

Y032-3163 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 Y032-3163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-3163?
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What is the minimum amount of Y032-3163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-3163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-3163
  • 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 Y032-3163 available by request