C163-0126 Screening compound: methyl 2-[4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]benzoate

C163-0126 Screening compound: methyl 2-[4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]benzoate
C163-0126 Screening compound: methyl 2-[4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C163-0126
methyl 2-[4-(5-methyl-3-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

C163-0126

Molecular Formula

C16H18N4O5 (C16 H18 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc([N+]([O-])=O)nn1CCCC(Nc(cccc1)c1C(OC)=O)=O

InChI

InChI=1S/C16H18N4O5/c1-11-10-14(20(23)24)18-19(11)9-5-8-15(21)17-13-7-4-3-6-12(13)16(22)25-2/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,17,21)

InChI Key

CCYJMZWEDUYLGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.34

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

0.896

Distribution Coefficient, logD

0.824

Water Solubility, LogSw

-2.37

Polar Surface Area

90.616

Acid Dissociation Constant (pKa)

8.14

Base Dissociation Constant (pKb)

-1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

C163-0126 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C163-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C163-0126?
Check Price and Availability of C163-0126, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C163-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C163-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C163-0126
  • 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 C163-0126 available by request