3659-2007 Screening compound: 4-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl acetate

3659-2007 Screening compound: 4-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl acetate
3659-2007 Screening compound: 4-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3659-2007
4-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl acetate

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

3659-2007

Molecular Formula

C18H16N2O3S (C18 H16 N2 O3 S)

Compound Name

4-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl acetate

IUPAC name

4-[(46-dimethyl-13-benzothiazol-2-yl)carbamoyl]phenyl acetate

SMILES

CC(Oc(cc1)ccc1C(Nc1nc(c(C)cc(C)c2)c2s1)=O)=O

InChI

InChI=1S/C18H16N2O3S/c1-10-8-11(2)16-15(9-10)24-18(19-16)20-17(22)13-4-6-14(7-5-13)23-12(3)21/h4-9H,1-3H3,(H,19,20,22)

InChI Key

MVPUUVPCHMHFOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01996234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.216

Distribution Coefficient, logD

4.215

Water Solubility, LogSw

-4.40

Polar Surface Area

54.612

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

3659-2007 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3659-2007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3659-2007?
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What is the minimum amount of 3659-2007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3659-2007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3659-2007
  • 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 3659-2007 available by request