3795-0090 Screening compound: methyl 4-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamido]benzoate

3795-0090 Screening compound: methyl 4-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamido]benzoate
3795-0090 Screening compound: methyl 4-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3795-0090
methyl 4-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamido]benzoate

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

3795-0090

Molecular Formula

C25H20N2O5 (C25 H20 N2 O5)

Compound Name

methyl 4-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamido]benzoate

IUPAC name

methyl 4-[2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-3-phenylpropanamido]benzoate

SMILES

COC(c(cc1)ccc1NC(C(Cc1ccccc1)N(C(c1c2cccc1)=O)C2=O)=O)=O

InChI

InChI=1S/C25H20N2O5/c1-32-25(31)17-11-13-18(14-12-17)26-22(28)21(15-16-7-3-2-4-8-16)27-23(29)19-9-5-6-10-20(19)24(27)30/h2-14,21H,15H2,1H3,(H,26,28)/t21-/m0/s1

InChI Key

DKCQYVXOGBSUNP-NRFANRHFSA-N

MDL Number (MFCD)

MFCD00331512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.579

Distribution Coefficient, logD

4.579

Water Solubility, LogSw

-4.65

Polar Surface Area

72.682

Acid Dissociation Constant (pKa)

10.51

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

3795-0090 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 3795-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3795-0090?
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What is the minimum amount of 3795-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3795-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3795-0090
  • 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 3795-0090 available by request