8018-2134 Screening compound: 4-{4-[(2E)-3-(3-nitrophenyl)prop-2-enamido]-1H-pyrazol-1-yl}butanoic acid

8018-2134 Screening compound: 4-{4-[(2E)-3-(3-nitrophenyl)prop-2-enamido]-1H-pyrazol-1-yl}butanoic acid
8018-2134 Screening compound: 4-{4-[(2E)-3-(3-nitrophenyl)prop-2-enamido]-1H-pyrazol-1-yl}butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2134
4-{4-[(2E)-3-(3-nitrophenyl)prop-2-enamido]-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

8018-2134

Molecular Formula

C16H16N4O5 (C16 H16 N4 O5)

Compound Name

4-{4-[(2E)-3-(3-nitrophenyl)prop-2-enamido]-1H-pyrazol-1-yl}butanoic acid

IUPAC name

4-{4-[(2E)-3-(3-nitrophenyl)prop-2-enamido]-1H-pyrazol-1-yl}butanoic acid

SMILES

[O-][N+](c1cc(/C=C/C(Nc2cn(CCCC(O)=O)nc2)=O)ccc1)=O

InChI

InChI=1S/C16H16N4O5/c21-15(7-6-12-3-1-4-14(9-12)20(24)25)18-13-10-17-19(11-13)8-2-5-16(22)23/h1,3-4,6-7,9-11H,2,5,8H2,(H,18,21)(H,22,23)

InChI Key

IOILEJMZAZIPHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07657338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.33

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.083

Distribution Coefficient, logD

-1.636

Water Solubility, LogSw

-2.04

Polar Surface Area

99.637

Acid Dissociation Constant (pKa)

4.68

Base Dissociation Constant (pKb)

2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

8018-2134 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-2134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2134?
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What is the minimum amount of 8018-2134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2134
  • 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 8018-2134 available by request