Y032-1700 Screening compound: (E)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)-2-propenamide

Y032-1700 Screening compound: (E)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)-2-propenamide
Y032-1700 Screening compound: (E)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)-2-propenamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-1700
(E)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(3-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

Y032-1700

Molecular Formula

C17H13N3O4S (C17 H13 N3 O4 S)

Compound Name

(E)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)-2-propenamide

IUPAC name

(2E)-N-(6-methoxy-13-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide

SMILES

COc(cc1)cc2c1nc(NC(/C=C/c1cc([N+]([O-])=O)ccc1)=O)s2

InChI

InChI=1S/C17H13N3O4S/c1-24-13-6-7-14-15(10-13)25-17(18-14)19-16(21)8-5-11-3-2-4-12(9-11)20(22)23/h2-10H,1H3,(H,18,19,21)

InChI Key

OIWBVPJPKRSDFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00993950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.37

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

4.619

Distribution Coefficient, logD

4.618

Water Solubility, LogSw

-4.57

Polar Surface Area

73.803

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.88

Y032-1700 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 Y032-1700 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-1700?
Check Price and Availability of Y032-1700, 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 Y032-1700 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-1700
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-1700
  • 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 Y032-1700 available by request