Y020-0190 Screening compound: 2-[(1,3-benzoxazol-2-yl)amino]-4-(4-chlorophenyl)-6-methylpyrimidine-5-carbonitrile

Y020-0190 Screening compound: 2-[(1,3-benzoxazol-2-yl)amino]-4-(4-chlorophenyl)-6-methylpyrimidine-5-carbonitrile
Y020-0190 Screening compound: 2-[(1,3-benzoxazol-2-yl)amino]-4-(4-chlorophenyl)-6-methylpyrimidine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-0190
2-[(1,3-benzoxazol-2-yl)amino]-4-(4-chlorophenyl)-6-methylpyrimidine-5-carbonitrile

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

Y020-0190

Molecular Formula

C19H12ClN5O (C19 H12 ClN5 O)

Compound Name

2-[(1,3-benzoxazol-2-yl)amino]-4-(4-chlorophenyl)-6-methylpyrimidine-5-carbonitrile

IUPAC name

2-[(13-benzoxazol-2-yl)amino]-4-(4-chlorophenyl)-6-methylpyrimidine-5-carbonitrile

SMILES

Cc(nc(Nc1nc(cccc2)c2o1)nc1-c(cc2)ccc2Cl)c1C#N

InChI

InChI=1S/C19H12ClN5O/c1-11-14(10-21)17(12-6-8-13(20)9-7-12)24-18(22-11)25-19-23-15-4-2-3-5-16(15)26-19/h2-9H,1H3,(H,22,23,24,25)

InChI Key

CRNGMLGBTATPFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03176139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.79

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.955

Distribution Coefficient, logD

4.954

Water Solubility, LogSw

-5.36

Polar Surface Area

65.383

Acid Dissociation Constant (pKa)

15.58

Base Dissociation Constant (pKb)

4.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

Y020-0190 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y020-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-0190?
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What is the minimum amount of Y020-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-0190
  • 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 Y020-0190 available by request