C447-1268 Screening compound: dimethyl 5-({[2-(4-methoxyphenyl)-3-oxo-2,3-dihydro-1H-isoindol-4-yl]carbonyl}amino)isophthalate

C447-1268 Screening compound: dimethyl 5-({[2-(4-methoxyphenyl)-3-oxo-2,3-dihydro-1H-isoindol-4-yl]carbonyl}amino)isophthalate
C447-1268 Screening compound: dimethyl 5-({[2-(4-methoxyphenyl)-3-oxo-2,3-dihydro-1H-isoindol-4-yl]carbonyl}amino)isophthalate alternative view

Chemical Structure Depiction of ChemDiv screening compound C447-1268
dimethyl 5-({[2-(4-methoxyphenyl)-3-oxo-2,3-dihydro-1H-isoindol-4-yl]carbonyl}amino)isophthalate

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

C447-1268

Molecular Formula

C26H22N2O7 (C26 H22 N2 O7)

Compound Name

dimethyl 5-({[2-(4-methoxyphenyl)-3-oxo-2,3-dihydro-1H-isoindol-4-yl]carbonyl}amino)isophthalate

IUPAC name

13-dimethyl 5-[2-(4-methoxyphenyl)-3-oxo-23-dihydro-1H-isoindole-4-amido]benzene-13-dicarboxylate

SMILES

COC(c1cc(NC(c(cccc2CN3c(cc4)ccc4OC)c2C3=O)=O)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C26H22N2O7/c1-33-20-9-7-19(8-10-20)28-14-15-5-4-6-21(22(15)24(28)30)23(29)27-18-12-16(25(31)34-2)11-17(13-18)26(32)35-3/h4-13H,14H2,1-3H3,(H,27,29)

InChI Key

UCRJJPKTTKIXOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.385

Distribution Coefficient, logD

4.380

Water Solubility, LogSw

-4.55

Polar Surface Area

89.422

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

-4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

C447-1268 in Drug Discovery

Included in Screening Libraries

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

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C447-1268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C447-1268?
Check Price and Availability of C447-1268, 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 C447-1268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C447-1268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C447-1268
  • 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 C447-1268 available by request