0978-8323 Screening compound: (2E)-3-(3-iodophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)prop-2-enamide

0978-8323 Screening compound: (2E)-3-(3-iodophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)prop-2-enamide
0978-8323 Screening compound: (2E)-3-(3-iodophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0978-8323
(2E)-3-(3-iodophenyl)-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

0978-8323

Molecular Formula

C17H13IN2O2S (C17 H13 IN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)cc2c1nc(NC(/C=C/c1cccc(I)c1)=O)s2

InChI

InChI=1S/C17H13IN2O2S/c1-22-13-6-7-14-15(10-13)23-17(19-14)20-16(21)8-5-11-3-2-4-12(18)9-11/h2-10H,1H3,(H,19,20,21)

InChI Key

LYSSLWUVDPRLPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00993942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.27

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

5.729

Distribution Coefficient, logD

5.729

Water Solubility, LogSw

-5.54

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

0978-8323 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 0978-8323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0978-8323?
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What is the minimum amount of 0978-8323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0978-8323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0978-8323
  • 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 0978-8323 available by request