8016-7650 Screening compound: 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N~1~-(4-bromo-3-methylphenyl)acetamide

8016-7650 Screening compound: 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N~1~-(4-bromo-3-methylphenyl)acetamide
8016-7650 Screening compound: 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N~1~-(4-bromo-3-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-7650
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N~1~-(4-bromo-3-methylphenyl)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

8016-7650

Molecular Formula

C13H12Br2N4O3 (C13 H12 Br2 N4 O3)

Compound Name

2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N~1~-(4-bromo-3-methylphenyl)acetamide

IUPAC name

N-(4-bromo-3-methylphenyl)-2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide

SMILES

Cc(n(CC(Nc(cc1)cc(C)c1Br)=O)nc1[N+]([O-])=O)c1Br

InChI

InChI=1S/C13H12Br2N4O3/c1-7-5-9(3-4-10(7)14)16-11(20)6-18-8(2)12(15)13(17-18)19(21)22/h3-5H,6H2,1-2H3,(H,16,20)

InChI Key

ZAXAWZMDXBJDNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05859021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.07

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.382

Distribution Coefficient, logD

3.382

Water Solubility, LogSw

-3.57

Polar Surface Area

70.407

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

References: we are preparing a list of scientific research reports with 8016-7650 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-7650?
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What is the minimum amount of 8016-7650 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-7650
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-7650
  • 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 8016-7650 available by request