8018-3984 Screening compound: N-(5-chloropyridin-2-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide

8018-3984 Screening compound: N-(5-chloropyridin-2-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
8018-3984 Screening compound: N-(5-chloropyridin-2-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3984
N-(5-chloropyridin-2-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide

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

8018-3984

Molecular Formula

C14H16ClN5O3 (C14 H16 ClN5 O3)

Compound Name

N-(5-chloropyridin-2-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide

IUPAC name

N-(5-chloropyridin-2-yl)-4-(35-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide

SMILES

Cc(n(CCCC(Nc(cc1)ncc1Cl)=O)nc1C)c1[N+]([O-])=O

InChI

InChI=1S/C14H16ClN5O3/c1-9-14(20(22)23)10(2)19(18-9)7-3-4-13(21)17-12-6-5-11(15)8-16-12/h5-6,8H,3-4,7H2,1-2H3,(H,16,17,21)

InChI Key

SJQLIBHPTVAQFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.77

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.730

Distribution Coefficient, logD

1.684

Water Solubility, LogSw

-2.68

Polar Surface Area

80.132

Acid Dissociation Constant (pKa)

8.34

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

8018-3984 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-3984 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3984?
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What is the minimum amount of 8018-3984 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3984
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3984
  • 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 8018-3984 available by request