V012-3502 Screening compound: N-({benzyl[(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-2-(4-fluorophenyl)-N-propylacetamide

V012-3502 Screening compound: N-({benzyl[(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-2-(4-fluorophenyl)-N-propylacetamide
V012-3502 Screening compound: N-({benzyl[(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-2-(4-fluorophenyl)-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-3502
N-({benzyl[(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-2-(4-fluorophenyl)-N-propylacetamide

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

V012-3502

Molecular Formula

C26H29FN2O2S (C26 H29 FN2 O2 S)

Compound Name

N-({benzyl[(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-2-(4-fluorophenyl)-N-propylacetamide

IUPAC name

N-({benzyl[(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-2-(4-fluorophenyl)-N-propylacetamide

SMILES

CCCN(CC(N(Cc1c(C)ccs1)Cc1ccccc1)=O)C(Cc(cc1)ccc1F)=O

InChI

InChI=1S/C26H29FN2O2S/c1-3-14-28(25(30)16-21-9-11-23(27)12-10-21)19-26(31)29(17-22-7-5-4-6-8-22)18-24-20(2)13-15-32-24/h4-13,15H,3,14,16-19H2,1-2H3

InChI Key

OOYGRUCGNRYMJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19746300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.982

Distribution Coefficient, logD

4.982

Water Solubility, LogSw

-4.60

Polar Surface Area

32.602

Acid Dissociation Constant (pKa)

17.16

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.77

References: we are preparing a list of scientific research reports with V012-3502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-3502?
Check Price and Availability of V012-3502, 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 V012-3502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-3502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-3502
  • 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 V012-3502 available by request