V021-3086 Screening compound: N~1~-{1-[1-(cyclopropylcarbonyl)-4-piperidyl]-2-[(2-furylmethyl)amino]-2-oxoethyl}-3-methoxybenzamide

V021-3086 Screening compound: N~1~-{1-[1-(cyclopropylcarbonyl)-4-piperidyl]-2-[(2-furylmethyl)amino]-2-oxoethyl}-3-methoxybenzamide
V021-3086 Screening compound: N~1~-{1-[1-(cyclopropylcarbonyl)-4-piperidyl]-2-[(2-furylmethyl)amino]-2-oxoethyl}-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-3086
N~1~-{1-[1-(cyclopropylcarbonyl)-4-piperidyl]-2-[(2-furylmethyl)amino]-2-oxoethyl}-3-methoxybenzamide

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

V021-3086

Molecular Formula

C24H29N3O5 (C24 H29 N3 O5)

Compound Name

N~1~-{1-[1-(cyclopropylcarbonyl)-4-piperidyl]-2-[(2-furylmethyl)amino]-2-oxoethyl}-3-methoxybenzamide

IUPAC name

n/a

SMILES

COc1cccc(C(NC(C(CC2)CCN2C(C2CC2)=O)C(NCc2ccco2)=O)=O)c1

InChI

InChI=1S/C24H29N3O5/c1-31-19-5-2-4-18(14-19)22(28)26-21(23(29)25-15-20-6-3-13-32-20)16-9-11-27(12-10-16)24(30)17-7-8-17/h2-6,13-14,16-17,21H,7-12,15H2,1H3,(H,25,29)(H,26,28)/t21-/m0/s1

InChI Key

MYGYQLGEULNTMP-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19874939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.542

Distribution Coefficient, logD

2.542

Water Solubility, LogSw

-2.82

Polar Surface Area

80.881

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

7.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

V021-3086 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V021-3086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-3086?
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What is the minimum amount of V021-3086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-3086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-3086
  • 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 V021-3086 available by request