V029-5734 Screening compound: N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-methylphenyl)methyl]-1H-indol-5-yl]cyclobutanecarboxamide

V029-5734 Screening compound: N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-methylphenyl)methyl]-1H-indol-5-yl]cyclobutanecarboxamide
V029-5734 Screening compound: N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-methylphenyl)methyl]-1H-indol-5-yl]cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-5734
N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-methylphenyl)methyl]-1H-indol-5-yl]cyclobutanecarboxamide

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

V029-5734

Molecular Formula

C28H34N4O2 (C28 H34 N4 O2)

Compound Name

N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-methylphenyl)methyl]-1H-indol-5-yl]cyclobutanecarboxamide

IUPAC name

N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-methylphenyl)methyl]-1H-indol-5-yl]cyclobutanecarboxamide

SMILES

CCN(CC1)CCN1C(c1cc(cc(cc2)NC(C3CCC3)=O)c2n1Cc1cc(C)ccc1)=O

InChI

InChI=1S/C28H34N4O2/c1-3-30-12-14-31(15-13-30)28(34)26-18-23-17-24(29-27(33)22-8-5-9-22)10-11-25(23)32(26)19-21-7-4-6-20(2)16-21/h4,6-7,10-11,16-18,22H,3,5,8-9,12-15,19H2,1-2H3,(H,29,33)

InChI Key

KPJRPJMWKXDUCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19777856

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

458.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.872

Distribution Coefficient, logD

3.695

Water Solubility, LogSw

-3.72

Polar Surface Area

44.492

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

V029-5734 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V029-5734 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-5734?
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What is the minimum amount of V029-5734 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-5734
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-5734
  • 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 V029-5734 available by request