6040-4587 Screening compound: N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide

6040-4587 Screening compound: N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
6040-4587 Screening compound: N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6040-4587
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide

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

6040-4587

Molecular Formula

C18H20N2O4S (C18 H20 N2 O4 S)

Compound Name

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

IUPAC name

N-(55-dimethyl-7-oxo-4567-tetrahydro-13-benzothiazol-2-yl)-24-dimethoxybenzamide

SMILES

CC(C)(Cc1c2sc(NC(c(ccc(OC)c3)c3OC)=O)n1)CC2=O

InChI

InChI=1S/C18H20N2O4S/c1-18(2)8-12-15(13(21)9-18)25-17(19-12)20-16(22)11-6-5-10(23-3)7-14(11)24-4/h5-7H,8-9H2,1-4H3,(H,19,20,22)

InChI Key

UPROUKSJEMZXGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03446916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.465

Distribution Coefficient, logD

1.177

Water Solubility, LogSw

-3.92

Polar Surface Area

63.220

Acid Dissociation Constant (pKa)

5.11

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

6040-4587 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6040-4587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6040-4587?
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What is the minimum amount of 6040-4587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6040-4587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6040-4587
  • 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 6040-4587 available by request