L320-0044 Screening compound: methyl 2-({[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl}amino)-4-chlorobenzoate

L320-0044 Screening compound: methyl 2-({[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl}amino)-4-chlorobenzoate
L320-0044 Screening compound: methyl 2-({[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl}amino)-4-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L320-0044
methyl 2-({[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl}amino)-4-chlorobenzoate

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

L320-0044

Molecular Formula

C22H16ClN3O3S (C22 H16 ClN3 O3 S)

Compound Name

methyl 2-({[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl}amino)-4-chlorobenzoate

IUPAC name

methyl 2-({[4-(13-benzothiazol-2-yl)phenyl]carbamoyl}amino)-4-chlorobenzoate

SMILES

COC(c(ccc(Cl)c1)c1NC(Nc(cc1)ccc1-c1nc(cccc2)c2s1)=O)=O

InChI

InChI=1S/C22H16ClN3O3S/c1-29-21(27)16-11-8-14(23)12-18(16)26-22(28)24-15-9-6-13(7-10-15)20-25-17-4-2-3-5-19(17)30-20/h2-12H,1H3,(H2,24,26,28)

InChI Key

GLRLJMWAKHNZGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15123827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.916

Distribution Coefficient, logD

5.783

Water Solubility, LogSw

-6.03

Polar Surface Area

62.466

Acid Dissociation Constant (pKa)

7.84

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

L320-0044 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with L320-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L320-0044?
Check Price and Availability of L320-0044, 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 L320-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L320-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L320-0044
  • 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 L320-0044 available by request