8016-3641 Screening compound: 4-{4-[2-(4-methyl-2-nitrophenoxy)acetamido]-1H-pyrazol-1-yl}butanoic acid

8016-3641 Screening compound: 4-{4-[2-(4-methyl-2-nitrophenoxy)acetamido]-1H-pyrazol-1-yl}butanoic acid
8016-3641 Screening compound: 4-{4-[2-(4-methyl-2-nitrophenoxy)acetamido]-1H-pyrazol-1-yl}butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-3641
4-{4-[2-(4-methyl-2-nitrophenoxy)acetamido]-1H-pyrazol-1-yl}butanoic acid

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

8016-3641

Molecular Formula

C16H18N4O6 (C16 H18 N4 O6)

Compound Name

4-{4-[2-(4-methyl-2-nitrophenoxy)acetamido]-1H-pyrazol-1-yl}butanoic acid

IUPAC name

4-{4-[2-(4-methyl-2-nitrophenoxy)acetamido]-1H-pyrazol-1-yl}butanoic acid

SMILES

Cc(cc1)cc([N+]([O-])=O)c1OCC(Nc1cn(CCCC(O)=O)nc1)=O

InChI

InChI=1S/C16H18N4O6/c1-11-4-5-14(13(7-11)20(24)25)26-10-15(21)18-12-8-17-19(9-12)6-2-3-16(22)23/h4-5,7-9H,2-3,6,10H2,1H3,(H,18,21)(H,22,23)

InChI Key

COPSMCHWVCKPCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05855763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.34

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.631

Distribution Coefficient, logD

-2.088

Water Solubility, LogSw

-2.06

Polar Surface Area

106.922

Acid Dissociation Constant (pKa)

4.68

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

8016-3641 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

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 8016-3641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-3641?
Check Price and Availability of 8016-3641, 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 8016-3641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-3641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-3641
  • 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 8016-3641 available by request