8018-0385 Screening compound: 4-amino-2,3-bis(benzoyloxy)-4-oxobutanoic acid

8018-0385 Screening compound: 4-amino-2,3-bis(benzoyloxy)-4-oxobutanoic acid
8018-0385 Screening compound: 4-amino-2,3-bis(benzoyloxy)-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-0385
4-amino-2,3-bis(benzoyloxy)-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

8018-0385

Molecular Formula

C18H15NO7 (C18 H15 NO7)

Compound Name

4-amino-2,3-bis(benzoyloxy)-4-oxobutanoic acid

IUPAC name

23-bis(benzoyloxy)-3-carbamoylpropanoic acid

SMILES

NC(C(C(C(O)=O)OC(c1ccccc1)=O)OC(c1ccccc1)=O)=O

InChI

InChI=1S/C18H15NO7/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12/h1-10,13-14H,(H2,19,20)(H,21,22)

InChI Key

UTUPXKNHKQWEAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07022081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.32

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.981

Distribution Coefficient, logD

-3.044

Water Solubility, LogSw

-1.38

Polar Surface Area

103.245

Acid Dissociation Constant (pKa)

3.38

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

11.11

8018-0385 in Drug Discovery

Included in Screening Libraries

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 8018-0385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-0385?
Check Price and Availability of 8018-0385, 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 8018-0385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-0385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-0385
  • 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 8018-0385 available by request