Y032-2881 Screening compound: (E)-N-(5-neopentyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)-2-propenamide

Y032-2881 Screening compound: (E)-N-(5-neopentyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)-2-propenamide
Y032-2881 Screening compound: (E)-N-(5-neopentyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)-2-propenamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-2881
(E)-N-(5-neopentyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)-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

Y032-2881

Molecular Formula

C16H18N4O3S (C16 H18 N4 O3 S)

Compound Name

(E)-N-(5-neopentyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)-2-propenamide

IUPAC name

(2E)-N-[5-(22-dimethylpropyl)-134-thiadiazol-2-yl]-3-(4-nitrophenyl)prop-2-enamide

SMILES

CC(C)(C)Cc1nnc(NC(/C=C/c(cc2)ccc2[N+]([O-])=O)=O)s1

InChI

InChI=1S/C16H18N4O3S/c1-16(2,3)10-14-18-19-15(24-14)17-13(21)9-6-11-4-7-12(8-5-11)20(22)23/h4-9H,10H2,1-3H3,(H,17,19,21)

InChI Key

KEDMULFCZDYHIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03638233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.664

Distribution Coefficient, logD

4.601

Water Solubility, LogSw

-4.42

Polar Surface Area

80.538

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.25

Y032-2881 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 Y032-2881 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-2881?
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What is the minimum amount of Y032-2881 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-2881
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-2881
  • 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 Y032-2881 available by request