8020-2797 Screening compound: 3-(3-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile

8020-2797 Screening compound: 3-(3-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile
8020-2797 Screening compound: 3-(3-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2797
3-(3-chlorophenyl)-4,5-dihydro-1,2-oxazole-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

8020-2797

Molecular Formula

C10H7ClN2O (C10 H7 ClN2 O)

Compound Name

3-(3-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile

IUPAC name

3-(3-chlorophenyl)-45-dihydro-12-oxazole-5-carbonitrile

SMILES

N#CC(C1)ON=C1c1cccc(Cl)c1

InChI

InChI=1S/C10H7ClN2O/c11-8-3-1-2-7(4-8)10-5-9(6-12)14-13-10/h1-4,9H,5H2/t9-/m1/s1

InChI Key

XGFNKGUILXGODZ-SECBINFHSA-N

MDL Number (MFCD)

MFCD11983435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

206.63

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.614

Distribution Coefficient, logD

2.614

Water Solubility, LogSw

-3.26

Polar Surface Area

40.131

Acid Dissociation Constant (pKa)

16.31

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8020-2797 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8020-2797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2797?
Check Price and Availability of 8020-2797, 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 8020-2797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2797
  • 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 8020-2797 available by request