1037-1153 Screening compound: 2-(5-{[2-(carboxymethyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid

1037-1153 Screening compound: 2-(5-{[2-(carboxymethyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid
1037-1153 Screening compound: 2-(5-{[2-(carboxymethyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1037-1153
2-(5-{[2-(carboxymethyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetic 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

1037-1153

Molecular Formula

C20H12N2O9 (C20 H12 N2 O9)

Compound Name

2-(5-{[2-(carboxymethyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid

IUPAC name

2-(5-{[2-(carboxymethyl)-13-dioxo-23-dihydro-1H-isoindol-4-yl]oxy}-13-dioxo-23-dihydro-1H-isoindol-2-yl)acetic acid

SMILES

OC(CN(C(c(cc1)c2cc1Oc(cccc1C(N3CC(O)=O)=O)c1C3=O)=O)C2=O)=O

InChI

InChI=1S/C20H12N2O9/c23-14(24)7-21-17(27)10-5-4-9(6-12(10)19(21)29)31-13-3-1-2-11-16(13)20(30)22(18(11)28)8-15(25)26/h1-6H,7-8H2,(H,23,24)(H,25,26)

InChI Key

YLPWHIPCVVOSRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.32

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-1.723

Distribution Coefficient, logD

-6.149

Water Solubility, LogSw

-2.44

Polar Surface Area

122.889

Acid Dissociation Constant (pKa)

2.97

Base Dissociation Constant (pKb)

-8.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

1037-1153 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1037-1153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1037-1153?
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What is the minimum amount of 1037-1153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1037-1153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1037-1153
  • 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 1037-1153 available by request