Y020-5530 Screening compound: 1-(4-chlorophenyl)-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)urea

Y020-5530 Screening compound: 1-(4-chlorophenyl)-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)urea
Y020-5530 Screening compound: 1-(4-chlorophenyl)-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5530
1-(4-chlorophenyl)-3-(5,6-dimethyl-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

Y020-5530

Molecular Formula

C16H14ClN3OS (C16 H14 ClN3 OS)

Compound Name

1-(4-chlorophenyl)-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)urea

IUPAC name

1-(4-chlorophenyl)-3-(56-dimethyl-13-benzothiazol-2-yl)urea

SMILES

Cc(c(C)c1)cc2c1sc(NC(Nc(cc1)ccc1Cl)=O)n2

InChI

InChI=1S/C16H14ClN3OS/c1-9-7-13-14(8-10(9)2)22-16(19-13)20-15(21)18-12-5-3-11(17)4-6-12/h3-8H,1-2H3,(H2,18,19,20,21)

InChI Key

RKZFWZIHNABMML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02325274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.83

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

5.934

Distribution Coefficient, logD

5.934

Water Solubility, LogSw

-6.18

Polar Surface Area

42.303

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

Y020-5530 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y020-5530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5530?
Check Price and Availability of Y020-5530, 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 Y020-5530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5530
  • 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 Y020-5530 available by request