D294-4788 Screening compound: 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one

D294-4788 Screening compound: 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
D294-4788 Screening compound: 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D294-4788
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one

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

D294-4788

Molecular Formula

C25H27ClN4O2 (C25 H27 ClN4 O2)

Compound Name

1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one

IUPAC name

1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one

SMILES

O=C(C(C1)CN(CCc2c[nH]c(cc3)c2cc3Cl)C1=O)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C25H27ClN4O2/c26-20-6-7-23-22(15-20)18(16-27-23)8-9-30-17-19(14-24(30)31)25(32)29-12-10-28(11-13-29)21-4-2-1-3-5-21/h1-7,15-16,19,27H,8-14,17H2/t19-/m1/s1

InChI Key

RZHPZPPYUVXRAV-LJQANCHMSA-N

MDL Number (MFCD)

MFCD09270652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.97

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.056

Distribution Coefficient, logD

3.056

Water Solubility, LogSw

-3.54

Polar Surface Area

47.192

Acid Dissociation Constant (pKa)

15.37

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

D294-4788 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D294-4788 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D294-4788?
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What is the minimum amount of D294-4788 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D294-4788
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D294-4788
  • 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 D294-4788 available by request