8008-9200 Screening compound: (Z)-4-{[4-({[(Z)-4-hydroxy-4-oxo-2-butenoyl]amino}methyl)benzyl]amino}-4-oxo-2-butenoic acid

8008-9200 Screening compound: (Z)-4-{[4-({[(Z)-4-hydroxy-4-oxo-2-butenoyl]amino}methyl)benzyl]amino}-4-oxo-2-butenoic acid
8008-9200 Screening compound: (Z)-4-{[4-({[(Z)-4-hydroxy-4-oxo-2-butenoyl]amino}methyl)benzyl]amino}-4-oxo-2-butenoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-9200
(Z)-4-{[4-({[(Z)-4-hydroxy-4-oxo-2-butenoyl]amino}methyl)benzyl]amino}-4-oxo-2-butenoic 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

8008-9200

Molecular Formula

C16H16N2O6 (C16 H16 N2 O6)

Compound Name

(Z)-4-{[4-({[(Z)-4-hydroxy-4-oxo-2-butenoyl]amino}methyl)benzyl]amino}-4-oxo-2-butenoic acid

IUPAC name

(2Z)-3-{[(4-{[(2Z)-3-carboxyprop-2-enamido]methyl}phenyl)methyl]carbamoyl}prop-2-enoic acid

SMILES

OC(/C=C\C(NCc1ccc(CNC(/C=C\C(O)=O)=O)cc1)=O)=O

InChI

InChI=1S/C16H16N2O6/c19-13(5-7-15(21)22)17-9-11-1-2-12(4-3-11)10-18-14(20)6-8-16(23)24/h1-8H,9-10H2,(H,17,19)(H,18,20)(H,21,22)(H,23,24)

InChI Key

WCZYSQMJODITDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01175791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.31

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.273

Distribution Coefficient, logD

-3.772

Water Solubility, LogSw

-1.54

Polar Surface Area

105.949

Acid Dissociation Constant (pKa)

3.35

Base Dissociation Constant (pKb)

2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8008-9200 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 8008-9200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-9200?
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What is the minimum amount of 8008-9200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-9200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-9200
  • 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 8008-9200 available by request