0571-0711 Screening compound: 2-[(2-carboxyethyl)amino]benzene-1,4-dicarboxylic acid

0571-0711 Screening compound: 2-[(2-carboxyethyl)amino]benzene-1,4-dicarboxylic acid
0571-0711 Screening compound: 2-[(2-carboxyethyl)amino]benzene-1,4-dicarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0571-0711
2-[(2-carboxyethyl)amino]benzene-1,4-dicarboxylic 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

0571-0711

Molecular Formula

C11H11NO6 (C11 H11 NO6)

Compound Name

2-[(2-carboxyethyl)amino]benzene-1,4-dicarboxylic acid

IUPAC name

2-[(2-carboxyethyl)amino]benzene-14-dicarboxylic acid

SMILES

OC(CCNc(cc(cc1)C(O)=O)c1C(O)=O)=O

InChI

InChI=1S/C11H11NO6/c13-9(14)3-4-12-8-5-6(10(15)16)1-2-7(8)11(17)18/h1-2,5,12H,3-4H2,(H,13,14)(H,15,16)(H,17,18)

InChI Key

RUVSKZCXQIRTEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00552951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

253.21

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.463

Distribution Coefficient, logD

-1.999

Water Solubility, LogSw

-2.17

Polar Surface Area

95.088

Acid Dissociation Constant (pKa)

3.94

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

0571-0711 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0571-0711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0571-0711?
Check Price and Availability of 0571-0711, 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 0571-0711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0571-0711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0571-0711
  • 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 0571-0711 available by request