8013-3268 Screening compound: N2-[2-(2-methyl-1H-indol-3-yl)ethyl]-N1-phenylpyrrolidine-1,2-dicarboxamide

8013-3268 Screening compound: N2-[2-(2-methyl-1H-indol-3-yl)ethyl]-N1-phenylpyrrolidine-1,2-dicarboxamide
8013-3268 Screening compound: N2-[2-(2-methyl-1H-indol-3-yl)ethyl]-N1-phenylpyrrolidine-1,2-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3268
N2-[2-(2-methyl-1H-indol-3-yl)ethyl]-N1-phenylpyrrolidine-1,2-dicarboxamide

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

8013-3268

Molecular Formula

C23H26N4O2 (C23 H26 N4 O2)

Compound Name

N2-[2-(2-methyl-1H-indol-3-yl)ethyl]-N1-phenylpyrrolidine-1,2-dicarboxamide

IUPAC name

N2-[2-(2-methyl-1H-indol-3-yl)ethyl]-N1-phenylpyrrolidine-12-dicarboxamide

SMILES

Cc1c(CCNC(C(CCC2)N2C(Nc2ccccc2)=O)=O)c(cccc2)c2[nH]1

InChI

InChI=1S/C23H26N4O2/c1-16-18(19-10-5-6-11-20(19)25-16)13-14-24-22(28)21-12-7-15-27(21)23(29)26-17-8-3-2-4-9-17/h2-6,8-11,21,25H,7,12-15H2,1H3,(H,24,28)(H,26,29)/t21-/m0/s1

InChI Key

VSWULNYOZVIGJK-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03766048

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.881

Distribution Coefficient, logD

2.881

Water Solubility, LogSw

-3.37

Polar Surface Area

59.948

Acid Dissociation Constant (pKa)

14.23

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

8013-3268 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Anti-HIV1 Library (19540 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8013-3268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3268?
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What is the minimum amount of 8013-3268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3268
  • 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 8013-3268 available by request