Y020-1868 Screening compound: N-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)-4-methoxybenzamide

Y020-1868 Screening compound: N-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)-4-methoxybenzamide
Y020-1868 Screening compound: N-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-1868
N-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)-4-methoxybenzamide

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

Y020-1868

Molecular Formula

C22H21N7O2 (C22 H21 N7 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(Nc2n[nH]c(-c(cc3)ccc3NC(c(cc3)ccc3OC)=O)n2)nc(C)c1

InChI

InChI=1S/C22H21N7O2/c1-13-12-14(2)24-21(23-13)27-22-26-19(28-29-22)15-4-8-17(9-5-15)25-20(30)16-6-10-18(31-3)11-7-16/h4-12H,1-3H3,(H,25,30)(H2,23,24,26,27,28,29)

InChI Key

FLYRNQFMBBUOFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07181639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.704

Distribution Coefficient, logD

3.688

Water Solubility, LogSw

-4.07

Polar Surface Area

94.023

Acid Dissociation Constant (pKa)

3.71

Base Dissociation Constant (pKb)

5.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

Y020-1868 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 Y020-1868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-1868?
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What is the minimum amount of Y020-1868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-1868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-1868
  • 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 Y020-1868 available by request