8012-2858 Screening compound: 5-(4-chlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3,4-oxadiazol-2-amine

8012-2858 Screening compound: 5-(4-chlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3,4-oxadiazol-2-amine
8012-2858 Screening compound: 5-(4-chlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3,4-oxadiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-2858
5-(4-chlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3,4-oxadiazol-2-amine

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

8012-2858

Molecular Formula

C12H11ClN4O (C12 H11 ClN4 O)

Compound Name

5-(4-chlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3,4-oxadiazol-2-amine

IUPAC name

5-(4-chlorophenyl)-N-(34-dihydro-2H-pyrrol-5-yl)-134-oxadiazol-2-amine

SMILES

Clc(cc1)ccc1-c1nnc(NC2=NCCC2)o1

InChI

InChI=1S/C12H11ClN4O/c13-9-5-3-8(4-6-9)11-16-17-12(18-11)15-10-2-1-7-14-10/h3-6H,1-2,7H2,(H,14,15,17)

InChI Key

NQAXBFWYSMEACG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02927101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.7

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.547

Distribution Coefficient, logD

-0.376

Water Solubility, LogSw

-3.49

Polar Surface Area

51.854

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

10.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8012-2858 in Drug Discovery

Included in Screening Libraries

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-2858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-2858?
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What is the minimum amount of 8012-2858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-2858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-2858
  • 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 8012-2858 available by request