C790-0043 Screening compound: 3-(6-methoxy-1,3-benzothiazol-2-yl)-1-(thiophen-2-yl)urea

C790-0043 Screening compound: 3-(6-methoxy-1,3-benzothiazol-2-yl)-1-(thiophen-2-yl)urea
C790-0043 Screening compound: 3-(6-methoxy-1,3-benzothiazol-2-yl)-1-(thiophen-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C790-0043
3-(6-methoxy-1,3-benzothiazol-2-yl)-1-(thiophen-2-yl)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

C790-0043

Molecular Formula

C13H11N3O2S2 (C13 H11 N3 O2 S2)

Compound Name

3-(6-methoxy-1,3-benzothiazol-2-yl)-1-(thiophen-2-yl)urea

IUPAC name

3-(6-methoxy-13-benzothiazol-2-yl)-1-(thiophen-2-yl)urea

SMILES

COc(cc1)cc2c1nc(NC(Nc1cccs1)=O)s2

InChI

InChI=1S/C13H11N3O2S2/c1-18-8-4-5-9-10(7-8)20-13(14-9)16-12(17)15-11-3-2-6-19-11/h2-7H,1H3,(H2,14,15,16,17)

InChI Key

CLOWGSDPLQPREB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.904

Distribution Coefficient, logD

3.904

Water Solubility, LogSw

-4.13

Polar Surface Area

50.339

Acid Dissociation Constant (pKa)

12.08

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

C790-0043 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C790-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C790-0043?
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What is the minimum amount of C790-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C790-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C790-0043
  • 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 C790-0043 available by request