8017-5607 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-(3-nitro-1H-pyrazol-1-yl)acetamide

8017-5607 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-(3-nitro-1H-pyrazol-1-yl)acetamide
8017-5607 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-(3-nitro-1H-pyrazol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5607
N-[2-(4-chlorophenyl)ethyl]-2-(3-nitro-1H-pyrazol-1-yl)acetamide

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

8017-5607

Molecular Formula

C13H13ClN4O3 (C13 H13 ClN4 O3)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-2-(3-nitro-1H-pyrazol-1-yl)acetamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-2-(3-nitro-1H-pyrazol-1-yl)acetamide

SMILES

[O-][N+](c1nn(CC(NCCc(cc2)ccc2Cl)=O)cc1)=O

InChI

InChI=1S/C13H13ClN4O3/c14-11-3-1-10(2-4-11)5-7-15-13(19)9-17-8-6-12(16-17)18(20)21/h1-4,6,8H,5,7,9H2,(H,15,19)

InChI Key

VRMVVEJLDKZBPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06017933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.72

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.295

Distribution Coefficient, logD

1.295

Water Solubility, LogSw

-2.81

Polar Surface Area

71.785

Acid Dissociation Constant (pKa)

14.54

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

8017-5607 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8017-5607 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5607?
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What is the minimum amount of 8017-5607 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5607
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5607
  • 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 8017-5607 available by request