1491-0946 Screening compound: 5-(benzylamino)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile

1491-0946 Screening compound: 5-(benzylamino)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile
1491-0946 Screening compound: 5-(benzylamino)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1491-0946
5-(benzylamino)-2-(4-nitrophenyl)-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

1491-0946

Molecular Formula

C17H12N4O3 (C17 H12 N4 O3)

Compound Name

5-(benzylamino)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile

IUPAC name

5-(benzylamino)-2-(4-nitrophenyl)-13-oxazole-4-carbonitrile

SMILES

N#Cc1c(NCc2ccccc2)oc(-c(cc2)ccc2[N+]([O-])=O)n1

InChI

InChI=1S/C17H12N4O3/c18-10-15-17(19-11-12-4-2-1-3-5-12)24-16(20-15)13-6-8-14(9-7-13)21(22)23/h1-9,19H,11H2

InChI Key

VLACAXLSXHOPOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00382779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.278

Distribution Coefficient, logD

3.278

Water Solubility, LogSw

-3.49

Polar Surface Area

79.659

Acid Dissociation Constant (pKa)

15.33

Base Dissociation Constant (pKb)

-5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

1491-0946 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1491-0946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1491-0946?
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What is the minimum amount of 1491-0946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1491-0946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1491-0946
  • 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 1491-0946 available by request