C429-0094 Screening compound: ethyl 4-{5-[(3-acetylphenyl)carbamoyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl}piperidine-1-carboxylate

C429-0094 Screening compound: ethyl 4-{5-[(3-acetylphenyl)carbamoyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl}piperidine-1-carboxylate
C429-0094 Screening compound: ethyl 4-{5-[(3-acetylphenyl)carbamoyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl}piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0094
ethyl 4-{5-[(3-acetylphenyl)carbamoyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl}piperidine-1-carboxylate

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

C429-0094

Molecular Formula

C25H25N3O6 (C25 H25 N3 O6)

Compound Name

ethyl 4-{5-[(3-acetylphenyl)carbamoyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl}piperidine-1-carboxylate

IUPAC name

ethyl 4-{5-[(3-acetylphenyl)carbamoyl]-13-dioxo-23-dihydro-1H-isoindol-2-yl}piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1N(C(c(cc1)c2cc1C(Nc1cc(C(C)=O)ccc1)=O)=O)C2=O)=O

InChI

InChI=1S/C25H25N3O6/c1-3-34-25(33)27-11-9-19(10-12-27)28-23(31)20-8-7-17(14-21(20)24(28)32)22(30)26-18-6-4-5-16(13-18)15(2)29/h4-8,13-14,19H,3,9-12H2,1-2H3,(H,26,30)

InChI Key

KRCSNQFUMLNASB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14755955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.615

Distribution Coefficient, logD

3.577

Water Solubility, LogSw

-3.72

Polar Surface Area

88.411

Acid Dissociation Constant (pKa)

8.44

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

C429-0094 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C429-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0094?
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What is the minimum amount of C429-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0094
  • 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 C429-0094 available by request