V028-9384 Screening compound: N-cyclohexyl-N-({[(4-fluorophenyl)methyl][(5-methylthiophen-2-yl)methyl]carbamoyl}methyl)-2-methylpropanamide

V028-9384 Screening compound: N-cyclohexyl-N-({[(4-fluorophenyl)methyl][(5-methylthiophen-2-yl)methyl]carbamoyl}methyl)-2-methylpropanamide
V028-9384 Screening compound: N-cyclohexyl-N-({[(4-fluorophenyl)methyl][(5-methylthiophen-2-yl)methyl]carbamoyl}methyl)-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-9384
N-cyclohexyl-N-({[(4-fluorophenyl)methyl][(5-methylthiophen-2-yl)methyl]carbamoyl}methyl)-2-methylpropanamide

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

V028-9384

Molecular Formula

C25H33FN2O2S (C25 H33 FN2 O2 S)

Compound Name

N-cyclohexyl-N-({[(4-fluorophenyl)methyl][(5-methylthiophen-2-yl)methyl]carbamoyl}methyl)-2-methylpropanamide

IUPAC name

N-cyclohexyl-N-({[(4-fluorophenyl)methyl][(5-methylthiophen-2-yl)methyl]carbamoyl}methyl)-2-methylpropanamide

SMILES

CC(C)C(N(CC(N(Cc1ccc(C)s1)Cc(cc1)ccc1F)=O)C1CCCCC1)=O

InChI

InChI=1S/C25H33FN2O2S/c1-18(2)25(30)28(22-7-5-4-6-8-22)17-24(29)27(16-23-14-9-19(3)31-23)15-20-10-12-21(26)13-11-20/h9-14,18,22H,4-8,15-17H2,1-3H3

InChI Key

YNYUJUIELRNGPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19763230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.395

Distribution Coefficient, logD

5.395

Water Solubility, LogSw

-5.16

Polar Surface Area

32.396

Acid Dissociation Constant (pKa)

22.91

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.00

V028-9384 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with V028-9384 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-9384?
Check Price and Availability of V028-9384, 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 V028-9384 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-9384
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-9384
  • 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 V028-9384 available by request