V027-9033 Screening compound: N-[(3-methylphenyl)methyl]-N-[4-({[(pyridin-2-yl)methyl]carbamoyl}methyl)phenyl]cyclopentanecarboxamide

V027-9033 Screening compound: N-[(3-methylphenyl)methyl]-N-[4-({[(pyridin-2-yl)methyl]carbamoyl}methyl)phenyl]cyclopentanecarboxamide
V027-9033 Screening compound: N-[(3-methylphenyl)methyl]-N-[4-({[(pyridin-2-yl)methyl]carbamoyl}methyl)phenyl]cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-9033
N-[(3-methylphenyl)methyl]-N-[4-({[(pyridin-2-yl)methyl]carbamoyl}methyl)phenyl]cyclopentanecarboxamide

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

V027-9033

Molecular Formula

C28H31N3O2 (C28 H31 N3 O2)

Compound Name

N-[(3-methylphenyl)methyl]-N-[4-({[(pyridin-2-yl)methyl]carbamoyl}methyl)phenyl]cyclopentanecarboxamide

IUPAC name

N-[(3-methylphenyl)methyl]-N-[4-({[(pyridin-2-yl)methyl]carbamoyl}methyl)phenyl]cyclopentanecarboxamide

SMILES

Cc1cccc(CN(C(C2CCCC2)=O)c2ccc(CC(NCc3ncccc3)=O)cc2)c1

InChI

InChI=1S/C28H31N3O2/c1-21-7-6-8-23(17-21)20-31(28(33)24-9-2-3-10-24)26-14-12-22(13-15-26)18-27(32)30-19-25-11-4-5-16-29-25/h4-8,11-17,24H,2-3,9-10,18-20H2,1H3,(H,30,32)

InChI Key

JEUBLWMAPCAVHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19903595

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

441.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.892

Distribution Coefficient, logD

4.891

Water Solubility, LogSw

-4.59

Polar Surface Area

49.891

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

V027-9033 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V027-9033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-9033?
Check Price and Availability of V027-9033, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V027-9033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-9033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-9033
  • 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 V027-9033 available by request