3795-0091 Screening compound: N-(2,5-dimethylphenyl)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide

3795-0091 Screening compound: N-(2,5-dimethylphenyl)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide
3795-0091 Screening compound: N-(2,5-dimethylphenyl)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3795-0091
N-(2,5-dimethylphenyl)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide

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

3795-0091

Molecular Formula

C25H22N2O3 (C25 H22 N2 O3)

Compound Name

N-(2,5-dimethylphenyl)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide

IUPAC name

N-(25-dimethylphenyl)-2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide

SMILES

Cc1cc(NC(C(Cc2ccccc2)N(C(c2c3cccc2)=O)C3=O)=O)c(C)cc1

InChI

InChI=1S/C25H22N2O3/c1-16-12-13-17(2)21(14-16)26-23(28)22(15-18-8-4-3-5-9-18)27-24(29)19-10-6-7-11-20(19)25(27)30/h3-14,22H,15H2,1-2H3,(H,26,28)/t22-/m0/s1

InChI Key

FTCFLAJBEBBPOG-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD02734437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.828

Distribution Coefficient, logD

4.828

Water Solubility, LogSw

-4.67

Polar Surface Area

50.810

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

3795-0091 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3795-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3795-0091?
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What is the minimum amount of 3795-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3795-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3795-0091
  • 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 3795-0091 available by request