1037-1125 Screening compound: methyl 4-[(2-acetamido-1,3-benzothiazol-6-yl)carbamoyl]benzoate

1037-1125 Screening compound: methyl 4-[(2-acetamido-1,3-benzothiazol-6-yl)carbamoyl]benzoate
1037-1125 Screening compound: methyl 4-[(2-acetamido-1,3-benzothiazol-6-yl)carbamoyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1037-1125
methyl 4-[(2-acetamido-1,3-benzothiazol-6-yl)carbamoyl]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

1037-1125

Molecular Formula

C18H15N3O4S (C18 H15 N3 O4 S)

Compound Name

methyl 4-[(2-acetamido-1,3-benzothiazol-6-yl)carbamoyl]benzoate

IUPAC name

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

SMILES

CC(Nc1nc(ccc(NC(c(cc2)ccc2C(OC)=O)=O)c2)c2s1)=O

InChI

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

InChI Key

WNANKTMCTNWRGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00731060

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

3.408

Distribution Coefficient, logD

3.407

Water Solubility, LogSw

-3.75

Polar Surface Area

77.527

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

1037-1125 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1037-1125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1037-1125?
Check Price and Availability of 1037-1125, 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 1037-1125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1037-1125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1037-1125
  • 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 1037-1125 available by request