5594-0996 Screening compound: 1-(4-chlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea

5594-0996 Screening compound: 1-(4-chlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea
5594-0996 Screening compound: 1-(4-chlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 5594-0996
1-(4-chlorophenyl)-3-(6-methoxy-1,3-benzothiazol-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

5594-0996

Molecular Formula

C15H12ClN3O2S (C15 H12 ClN3 O2 S)

Compound Name

1-(4-chlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea

IUPAC name

1-(4-chlorophenyl)-3-(6-methoxy-13-benzothiazol-2-yl)urea

SMILES

COc(cc1)cc2c1nc(NC(Nc(cc1)ccc1Cl)=O)s2

InChI

InChI=1S/C15H12ClN3O2S/c1-21-11-6-7-12-13(8-11)22-15(18-12)19-14(20)17-10-4-2-9(16)3-5-10/h2-8H,1H3,(H2,17,18,19,20)

InChI Key

JEAPDUIQVDFIQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00030235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.8

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

5.029

Distribution Coefficient, logD

5.029

Water Solubility, LogSw

-5.18

Polar Surface Area

49.847

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

5594-0996 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5594-0996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5594-0996?
Check Price and Availability of 5594-0996, 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 5594-0996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5594-0996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5594-0996
  • 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 5594-0996 available by request