8020-2192 Screening compound: 3-({[(4-acetylphenyl)carbamoyl]methyl}carbamoyl)propanoic acid

8020-2192 Screening compound: 3-({[(4-acetylphenyl)carbamoyl]methyl}carbamoyl)propanoic acid
8020-2192 Screening compound: 3-({[(4-acetylphenyl)carbamoyl]methyl}carbamoyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2192
3-({[(4-acetylphenyl)carbamoyl]methyl}carbamoyl)propanoic 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

8020-2192

Molecular Formula

C14H16N2O5 (C14 H16 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

CC(c(cc1)ccc1NC(CNC(CCC(O)=O)=O)=O)=O

InChI

InChI=1S/C14H16N2O5/c1-9(17)10-2-4-11(5-3-10)16-13(19)8-15-12(18)6-7-14(20)21/h2-5H,6-8H2,1H3,(H,15,18)(H,16,19)(H,20,21)

InChI Key

ZNBBHTCBRCTHHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00468696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.29

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.028

Distribution Coefficient, logD

-2.978

Water Solubility, LogSw

-1.57

Polar Surface Area

90.070

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

8020-2192 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 8020-2192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2192?
Check Price and Availability of 8020-2192, 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 8020-2192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2192
  • 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 8020-2192 available by request