C163-0239 Screening compound: methyl 2-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]benzoate

C163-0239 Screening compound: methyl 2-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]benzoate
C163-0239 Screening compound: methyl 2-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C163-0239
methyl 2-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]benzoate

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

C163-0239

Molecular Formula

C17H20N4O5 (C17 H20 N4 O5)

Compound Name

methyl 2-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]benzoate

IUPAC name

methyl 2-[4-(35-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]benzoate

SMILES

Cc(n(CCCC(Nc(cccc1)c1C(OC)=O)=O)nc1C)c1[N+]([O-])=O

InChI

InChI=1S/C17H20N4O5/c1-11-16(21(24)25)12(2)20(19-11)10-6-9-15(22)18-14-8-5-4-7-13(14)17(23)26-3/h4-5,7-8H,6,9-10H2,1-3H3,(H,18,22)

InChI Key

VVFSCFCPISULEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06013652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.37

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.155

Distribution Coefficient, logD

1.083

Water Solubility, LogSw

-2.29

Polar Surface Area

90.904

Acid Dissociation Constant (pKa)

8.14

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

References: we are preparing a list of scientific research reports with C163-0239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C163-0239?
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What is the minimum amount of C163-0239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C163-0239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C163-0239
  • 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 C163-0239 available by request