C163-0145 Screening compound: N-(4-bromophenyl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide

C163-0145 Screening compound: N-(4-bromophenyl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
C163-0145 Screening compound: N-(4-bromophenyl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C163-0145
N-(4-bromophenyl)-4-(5-methyl-3-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

C163-0145

Molecular Formula

C14H15BrN4O3 (C14 H15 BrN4 O3)

Compound Name

N-(4-bromophenyl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide

IUPAC name

N-(4-bromophenyl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide

SMILES

Cc1cc([N+]([O-])=O)nn1CCCC(Nc(cc1)ccc1Br)=O

InChI

InChI=1S/C14H15BrN4O3/c1-10-9-13(19(21)22)17-18(10)8-2-3-14(20)16-12-6-4-11(15)5-7-12/h4-7,9H,2-3,8H2,1H3,(H,16,20)

InChI Key

WQOQGFFLGOURRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.2

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

2.005

Distribution Coefficient, logD

2.005

Water Solubility, LogSw

-2.67

Polar Surface Area

70.140

Acid Dissociation Constant (pKa)

10.25

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with C163-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C163-0145?
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What is the minimum amount of C163-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C163-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C163-0145
  • 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 C163-0145 available by request