8009-0067 Screening compound: 5-({[2-(tert-butyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)isophthalic acid

8009-0067 Screening compound: 5-({[2-(tert-butyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)isophthalic acid
8009-0067 Screening compound: 5-({[2-(tert-butyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)isophthalic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-0067
5-({[2-(tert-butyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)isophthalic 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

8009-0067

Molecular Formula

C21H18N2O7 (C21 H18 N2 O7)

Compound Name

5-({[2-(tert-butyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)isophthalic acid

IUPAC name

5-(2-tert-butyl-13-dioxo-23-dihydro-1H-isoindole-5-amido)benzene-13-dicarboxylic acid

SMILES

CC(C)(C)N(C(c(cc1)c2cc1C(Nc1cc(C(O)=O)cc(C(O)=O)c1)=O)=O)C2=O

InChI

InChI=1S/C21H18N2O7/c1-21(2,3)23-17(25)14-5-4-10(9-15(14)18(23)26)16(24)22-13-7-11(19(27)28)6-12(8-13)20(29)30/h4-9H,1-3H3,(H,22,24)(H,27,28)(H,29,30)

InChI Key

RJCVYBUGMBLKFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01647012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.38

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.561

Distribution Coefficient, logD

0.197

Water Solubility, LogSw

-3.69

Polar Surface Area

109.754

Acid Dissociation Constant (pKa)

3.77

Base Dissociation Constant (pKb)

-6.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.05

References: we are preparing a list of scientific research reports with 8009-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-0067?
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What is the minimum amount of 8009-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-0067
  • 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 8009-0067 available by request