G588-0120 Screening compound: 1-(3-chloro-2-methylphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea

G588-0120 Screening compound: 1-(3-chloro-2-methylphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
G588-0120 Screening compound: 1-(3-chloro-2-methylphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G588-0120
1-(3-chloro-2-methylphenyl)-3-(4,5,6,7-tetrahydro-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

G588-0120

Molecular Formula

C15H16ClN3OS (C15 H16 ClN3 OS)

Compound Name

1-(3-chloro-2-methylphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea

IUPAC name

1-(3-chloro-2-methylphenyl)-3-(4567-tetrahydro-13-benzothiazol-2-yl)urea

SMILES

Cc(c(NC(Nc1nc(CCCC2)c2s1)=O)ccc1)c1Cl

InChI

InChI=1S/C15H16ClN3OS/c1-9-10(16)5-4-7-11(9)17-14(20)19-15-18-12-6-2-3-8-13(12)21-15/h4-5,7H,2-3,6,8H2,1H3,(H2,17,18,19,20)

InChI Key

WYOYYEFZRAJNCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07096324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.83

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.075

Distribution Coefficient, logD

4.843

Water Solubility, LogSw

-5.21

Polar Surface Area

43.311

Acid Dissociation Constant (pKa)

7.57

Base Dissociation Constant (pKb)

5.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G588-0120 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiparasite Library (23996 compounds)

CNS BBB Library (22607 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G588-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G588-0120?
Check Price and Availability of G588-0120, 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 G588-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G588-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G588-0120
  • 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 G588-0120 available by request