5298-5043 Screening compound: 4-bromo-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

5298-5043 Screening compound: 4-bromo-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
5298-5043 Screening compound: 4-bromo-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5298-5043
4-bromo-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

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

5298-5043

Molecular Formula

C16H15BrN2O2S (C16 H15 BrN2 O2 S)

Compound Name

4-bromo-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

IUPAC name

4-bromo-N-(55-dimethyl-7-oxo-4567-tetrahydro-13-benzothiazol-2-yl)benzamide

SMILES

CC(C)(Cc1c2sc(NC(c(cc3)ccc3Br)=O)n1)CC2=O

InChI

InChI=1S/C16H15BrN2O2S/c1-16(2)7-11-13(12(20)8-16)22-15(18-11)19-14(21)9-3-5-10(17)6-4-9/h3-6H,7-8H2,1-2H3,(H,18,19,21)

InChI Key

POJCWWPNKORYRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02657854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.274

Distribution Coefficient, logD

2.025

Water Solubility, LogSw

-4.32

Polar Surface Area

48.045

Acid Dissociation Constant (pKa)

5.15

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

5298-5043 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5298-5043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5298-5043?
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What is the minimum amount of 5298-5043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5298-5043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5298-5043
  • 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 5298-5043 available by request