V014-4535 Screening compound: N~1~-allyl-N~1~-{2-[(2-furylmethyl)(tetrahydro-2-furanylmethyl)amino]-2-oxoethyl}-4-methoxybenzamide

V014-4535 Screening compound: N~1~-allyl-N~1~-{2-[(2-furylmethyl)(tetrahydro-2-furanylmethyl)amino]-2-oxoethyl}-4-methoxybenzamide
V014-4535 Screening compound: N~1~-allyl-N~1~-{2-[(2-furylmethyl)(tetrahydro-2-furanylmethyl)amino]-2-oxoethyl}-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-4535
N~1~-allyl-N~1~-{2-[(2-furylmethyl)(tetrahydro-2-furanylmethyl)amino]-2-oxoethyl}-4-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

V014-4535

Molecular Formula

C23H28N2O5 (C23 H28 N2 O5)

Compound Name

N~1~-allyl-N~1~-{2-[(2-furylmethyl)(tetrahydro-2-furanylmethyl)amino]-2-oxoethyl}-4-methoxybenzamide

IUPAC name

n/a

SMILES

COc(cc1)ccc1C(N(CC=C)CC(N(CC1OCCC1)Cc1ccco1)=O)=O

InChI

InChI=1S/C23H28N2O5/c1-3-12-24(23(27)18-8-10-19(28-2)11-9-18)17-22(26)25(15-20-6-4-13-29-20)16-21-7-5-14-30-21/h3-4,6,8-11,13,21H,1,5,7,12,14-17H2,2H3/t21-/m1/s1

InChI Key

CTKFCSJBPVMZFX-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19740903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.162

Distribution Coefficient, logD

2.162

Water Solubility, LogSw

-2.36

Polar Surface Area

56.058

Acid Dissociation Constant (pKa)

22.42

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

V014-4535 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V014-4535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-4535?
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What is the minimum amount of V014-4535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-4535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-4535
  • 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 V014-4535 available by request