V013-1868 Screening compound: N-[(4-methylphenyl)methyl]-N-{4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]phenyl}furan-2-carboxamide

V013-1868 Screening compound: N-[(4-methylphenyl)methyl]-N-{4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]phenyl}furan-2-carboxamide
V013-1868 Screening compound: N-[(4-methylphenyl)methyl]-N-{4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]phenyl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-1868
N-[(4-methylphenyl)methyl]-N-{4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]phenyl}furan-2-carboxamide

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

V013-1868

Molecular Formula

C27H30N2O3 (C27 H30 N2 O3)

Compound Name

N-[(4-methylphenyl)methyl]-N-{4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]phenyl}furan-2-carboxamide

IUPAC name

N-[(4-methylphenyl)methyl]-N-{4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]phenyl}furan-2-carboxamide

SMILES

CC(CC1)CCN1C(Cc(cc1)ccc1N(Cc1ccc(C)cc1)C(c1ccco1)=O)=O

InChI

InChI=1S/C27H30N2O3/c1-20-5-7-23(8-6-20)19-29(27(31)25-4-3-17-32-25)24-11-9-22(10-12-24)18-26(30)28-15-13-21(2)14-16-28/h3-12,17,21H,13-16,18-19H2,1-2H3

InChI Key

CRPTYCZTRYZANT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19903931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.928

Distribution Coefficient, logD

4.928

Water Solubility, LogSw

-4.57

Polar Surface Area

40.289

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V013-1868 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V013-1868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-1868?
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What is the minimum amount of V013-1868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-1868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-1868
  • 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 V013-1868 available by request