8006-1155 Screening compound: 4-(4-{4-[(4-hydroxy-4-oxobutanoyl)amino]benzyl}anilino)-4-oxobutanoic acid

8006-1155 Screening compound: 4-(4-{4-[(4-hydroxy-4-oxobutanoyl)amino]benzyl}anilino)-4-oxobutanoic acid
8006-1155 Screening compound: 4-(4-{4-[(4-hydroxy-4-oxobutanoyl)amino]benzyl}anilino)-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-1155
4-(4-{4-[(4-hydroxy-4-oxobutanoyl)amino]benzyl}anilino)-4-oxobutanoic 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

8006-1155

Molecular Formula

C21H22N2O6 (C21 H22 N2 O6)

Compound Name

4-(4-{4-[(4-hydroxy-4-oxobutanoyl)amino]benzyl}anilino)-4-oxobutanoic acid

IUPAC name

3-[(4-{[4-(3-carboxypropanamido)phenyl]methyl}phenyl)carbamoyl]propanoic acid

SMILES

OC(CCC(Nc1ccc(Cc(cc2)ccc2NC(CCC(O)=O)=O)cc1)=O)=O

InChI

InChI=1S/C21H22N2O6/c24-18(9-11-20(26)27)22-16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)23-19(25)10-12-21(28)29/h1-8H,9-13H2,(H,22,24)(H,23,25)(H,26,27)(H,28,29)

InChI Key

VQMZZDYWICFBLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00345058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.062

Distribution Coefficient, logD

-1.888

Water Solubility, LogSw

-1.76

Polar Surface Area

103.033

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

8006-1155 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8006-1155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-1155?
Check Price and Availability of 8006-1155, 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 8006-1155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-1155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-1155
  • 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 8006-1155 available by request