Y021-0385 Screening compound: 1-(3-chlorophenyl)-3-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)urea

Y021-0385 Screening compound: 1-(3-chlorophenyl)-3-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)urea
Y021-0385 Screening compound: 1-(3-chlorophenyl)-3-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-0385
1-(3-chlorophenyl)-3-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)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

Y021-0385

Molecular Formula

C21H19ClN8O (C21 H19 ClN8 O)

Compound Name

1-(3-chlorophenyl)-3-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)urea

IUPAC name

1-(3-chlorophenyl)-3-(4-{3-[(46-dimethylpyrimidin-2-yl)amino]-1H-124-triazol-5-yl}phenyl)urea

SMILES

Cc1nc(Nc2n[nH]c(-c(cc3)ccc3NC(Nc3cccc(Cl)c3)=O)n2)nc(C)c1

InChI

InChI=1S/C21H19ClN8O/c1-12-10-13(2)24-19(23-12)28-20-27-18(29-30-20)14-6-8-16(9-7-14)25-21(31)26-17-5-3-4-15(22)11-17/h3-11H,1-2H3,(H2,25,26,31)(H2,23,24,27,28,29,30)

InChI Key

FNRUFCPSZZZTTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04178903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.126

Distribution Coefficient, logD

5.109

Water Solubility, LogSw

-5.55

Polar Surface Area

95.691

Acid Dissociation Constant (pKa)

3.71

Base Dissociation Constant (pKb)

5.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

Y021-0385 in Drug Discovery

Included in Screening Libraries

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

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y021-0385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-0385?
Check Price and Availability of Y021-0385, 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 Y021-0385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-0385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-0385
  • 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 Y021-0385 available by request