6712-0052 Screening compound: N-{7-bromo-4-methoxy-8H-indeno[1,2-d][1,3]thiazol-2-yl}-3-fluorobenzamide

6712-0052 Screening compound: N-{7-bromo-4-methoxy-8H-indeno[1,2-d][1,3]thiazol-2-yl}-3-fluorobenzamide
6712-0052 Screening compound: N-{7-bromo-4-methoxy-8H-indeno[1,2-d][1,3]thiazol-2-yl}-3-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6712-0052
N-{7-bromo-4-methoxy-8H-indeno[1,2-d][1,3]thiazol-2-yl}-3-fluorobenzamide

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

6712-0052

Molecular Formula

C18H12BrFN2O2S (C18 H12 BrFN2 O2 S)

Compound Name

N-{7-bromo-4-methoxy-8H-indeno[1,2-d][1,3]thiazol-2-yl}-3-fluorobenzamide

IUPAC name

N-{7-bromo-4-methoxy-8H-indeno[12-d][13]thiazol-2-yl}-3-fluorobenzamide

SMILES

COc(ccc(Br)c1C2)c1-c1c2sc(NC(c2cc(F)ccc2)=O)n1

InChI

InChI=1S/C18H12BrFN2O2S/c1-24-13-6-5-12(19)11-8-14-16(15(11)13)21-18(25-14)22-17(23)9-3-2-4-10(20)7-9/h2-7H,8H2,1H3,(H,21,22,23)

InChI Key

RFLYDJXUUUDJRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03697298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.886

Distribution Coefficient, logD

4.885

Water Solubility, LogSw

-4.88

Polar Surface Area

41.883

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

6712-0052 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

DGK Inhibitors Library (10558 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 6712-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6712-0052?
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What is the minimum amount of 6712-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6712-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6712-0052
  • 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 6712-0052 available by request