0945-0472 Screening compound: 4-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl}butanoic acid

0945-0472 Screening compound: 4-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl}butanoic acid
0945-0472 Screening compound: 4-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl}butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0945-0472
4-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl}butanoic acid

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

0945-0472

Molecular Formula

C19H18N2O3S (C19 H18 N2 O3 S)

Compound Name

4-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl}butanoic acid

IUPAC name

4-{[4-(6-methyl-13-benzothiazol-2-yl)phenyl]carbamoyl}butanoic acid

SMILES

Cc(cc1)cc2c1nc(-c(cc1)ccc1NC(CCCC(O)=O)=O)s2

InChI

InChI=1S/C19H18N2O3S/c1-12-5-10-15-16(11-12)25-19(21-15)13-6-8-14(9-7-13)20-17(22)3-2-4-18(23)24/h5-11H,2-4H2,1H3,(H,20,22)(H,23,24)

InChI Key

SUWRHQOGIWHSDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00738278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.243

Distribution Coefficient, logD

0.646

Water Solubility, LogSw

-3.44

Polar Surface Area

61.221

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

0945-0472 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

Frequent Hitters Library (7624 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Others
  • Nuclear receptors
Structure:
  • Pool
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0945-0472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0945-0472?
Check Price and Availability of 0945-0472, 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 0945-0472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0945-0472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0945-0472
  • 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 0945-0472 available by request