0478-0668 Screening compound: methyl 4-({[6-(acetylamino)-1,3-benzothiazol-2-yl]amino}carbonyl)benzoate

0478-0668 Screening compound: methyl 4-({[6-(acetylamino)-1,3-benzothiazol-2-yl]amino}carbonyl)benzoate
0478-0668 Screening compound: methyl 4-({[6-(acetylamino)-1,3-benzothiazol-2-yl]amino}carbonyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0478-0668
methyl 4-({[6-(acetylamino)-1,3-benzothiazol-2-yl]amino}carbonyl)benzoate

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

0478-0668

Molecular Formula

C18H15N3O4S (C18 H15 N3 O4 S)

Compound Name

methyl 4-({[6-(acetylamino)-1,3-benzothiazol-2-yl]amino}carbonyl)benzoate

IUPAC name

methyl 4-[(6-acetamido-13-benzothiazol-2-yl)carbamoyl]benzoate

SMILES

CC(Nc(cc1)cc2c1nc(NC(c(cc1)ccc1C(OC)=O)=O)s2)=O

InChI

InChI=1S/C18H15N3O4S/c1-10(22)19-13-7-8-14-15(9-13)26-18(20-14)21-16(23)11-3-5-12(6-4-11)17(24)25-2/h3-9H,1-2H3,(H,19,22)(H,20,21,23)

InChI Key

VYZMPBCJHXMREA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00371981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.291

Distribution Coefficient, logD

3.288

Water Solubility, LogSw

-3.61

Polar Surface Area

77.527

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

2.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

0478-0668 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

Frequent Hitters Library (7624 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases
  • Kinases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0478-0668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0478-0668?
Check Price and Availability of 0478-0668, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0478-0668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0478-0668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0478-0668
  • 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 0478-0668 available by request