Y070-3851 Screening compound: 5-{[(2-chlorophenyl)methyl]amino}-2-(naphthalen-1-yl)-1,3-oxazole-4-carbonitrile

Y070-3851 Screening compound: 5-{[(2-chlorophenyl)methyl]amino}-2-(naphthalen-1-yl)-1,3-oxazole-4-carbonitrile
Y070-3851 Screening compound: 5-{[(2-chlorophenyl)methyl]amino}-2-(naphthalen-1-yl)-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-3851
5-{[(2-chlorophenyl)methyl]amino}-2-(naphthalen-1-yl)-1,3-oxazole-4-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

Y070-3851

Molecular Formula

C21H14ClN3O (C21 H14 ClN3 O)

Compound Name

5-{[(2-chlorophenyl)methyl]amino}-2-(naphthalen-1-yl)-1,3-oxazole-4-carbonitrile

IUPAC name

5-{[(2-chlorophenyl)methyl]amino}-2-(naphthalen-1-yl)-13-oxazole-4-carbonitrile

SMILES

N#Cc1c(NCc(cccc2)c2Cl)oc(-c2cccc3ccccc23)n1

InChI

InChI=1S/C21H14ClN3O/c22-18-11-4-2-7-15(18)13-24-21-19(12-23)25-20(26-21)17-10-5-8-14-6-1-3-9-16(14)17/h1-11,24H,13H2

InChI Key

BFRBIYVJHDZWPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04194479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.81

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.008

Distribution Coefficient, logD

5.008

Water Solubility, LogSw

-5.16

Polar Surface Area

46.006

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

-4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

Y070-3851 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y070-3851 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-3851?
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What is the minimum amount of Y070-3851 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-3851
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-3851
  • 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 Y070-3851 available by request