L320-0033 Screening compound: 1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(3-chloro-2-methylphenyl)urea

L320-0033 Screening compound: 1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(3-chloro-2-methylphenyl)urea
L320-0033 Screening compound: 1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(3-chloro-2-methylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L320-0033
1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(3-chloro-2-methylphenyl)urea

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

L320-0033

Molecular Formula

C21H16ClN3OS (C21 H16 ClN3 OS)

Compound Name

1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(3-chloro-2-methylphenyl)urea

IUPAC name

1-[4-(13-benzothiazol-2-yl)phenyl]-3-(3-chloro-2-methylphenyl)urea

SMILES

Cc(c(NC(Nc(cc1)ccc1-c1nc(cccc2)c2s1)=O)ccc1)c1Cl

InChI

InChI=1S/C21H16ClN3OS/c1-13-16(22)5-4-7-17(13)25-21(26)23-15-11-9-14(10-12-15)20-24-18-6-2-3-8-19(18)27-20/h2-12H,1H3,(H2,23,25,26)

InChI Key

CQBHXCFTYKBHQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15123817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.9

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.504

Distribution Coefficient, logD

6.504

Water Solubility, LogSw

-6.23

Polar Surface Area

41.292

Acid Dissociation Constant (pKa)

11.51

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

L320-0033 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cardiovascular

References: we are preparing a list of scientific research reports with L320-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L320-0033?
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What is the minimum amount of L320-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L320-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L320-0033
  • 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 L320-0033 available by request