Y032-2839 Screening compound: (E)-N-[5-(tert-butyl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)-2-propenamide

Y032-2839 Screening compound: (E)-N-[5-(tert-butyl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)-2-propenamide
Y032-2839 Screening compound: (E)-N-[5-(tert-butyl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)-2-propenamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-2839
(E)-N-[5-(tert-butyl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)-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

Y032-2839

Molecular Formula

C16H19N3O2S (C16 H19 N3 O2 S)

Compound Name

(E)-N-[5-(tert-butyl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)-2-propenamide

IUPAC name

(2E)-N-(5-tert-butyl-134-thiadiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enamide

SMILES

CC(C)(C)c1nnc(NC(/C=C/c(cc2)ccc2OC)=O)s1

InChI

InChI=1S/C16H19N3O2S/c1-16(2,3)14-18-19-15(22-14)17-13(20)10-7-11-5-8-12(21-4)9-6-11/h5-10H,1-4H3,(H,17,19,20)

InChI Key

FOFDKEBONZQCES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03638106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.349

Distribution Coefficient, logD

4.292

Water Solubility, LogSw

-4.33

Polar Surface Area

54.205

Acid Dissociation Constant (pKa)

8.25

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.25

Y032-2839 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 Y032-2839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-2839?
Check Price and Availability of Y032-2839, 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 Y032-2839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-2839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-2839
  • 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 Y032-2839 available by request