0978-8251 Screening compound: (2E)-3-(4-bromophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)prop-2-enamide

0978-8251 Screening compound: (2E)-3-(4-bromophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)prop-2-enamide
0978-8251 Screening compound: (2E)-3-(4-bromophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0978-8251
(2E)-3-(4-bromophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)prop-2-enamide

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

0978-8251

Molecular Formula

C17H13BrN2O2S (C17 H13 BrN2 O2 S)

Compound Name

(2E)-3-(4-bromophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)prop-2-enamide

IUPAC name

(2E)-3-(4-bromophenyl)-N-(6-methoxy-13-benzothiazol-2-yl)prop-2-enamide

SMILES

COc(cc1)cc2c1nc(NC(/C=C/c(cc1)ccc1Br)=O)s2

InChI

InChI=1S/C17H13BrN2O2S/c1-22-13-7-8-14-15(10-13)23-17(19-14)20-16(21)9-4-11-2-5-12(18)6-3-11/h2-10H,1H3,(H,19,20,21)

InChI Key

VKCLEICVDQQTSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00993925

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.537

Distribution Coefficient, logD

5.537

Water Solubility, LogSw

-5.52

Polar Surface Area

40.421

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

0978-8251 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Frequent Hitters Library (7624 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 0978-8251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0978-8251?
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What is the minimum amount of 0978-8251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0978-8251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0978-8251
  • 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 0978-8251 available by request