V027-0077 Screening compound: N-({[(4-fluorophenyl)methyl][(5-methylthiophen-2-yl)methyl]carbamoyl}methyl)-N-[(furan-2-yl)methyl]propanamide

V027-0077 Screening compound: N-({[(4-fluorophenyl)methyl][(5-methylthiophen-2-yl)methyl]carbamoyl}methyl)-N-[(furan-2-yl)methyl]propanamide
V027-0077 Screening compound: N-({[(4-fluorophenyl)methyl][(5-methylthiophen-2-yl)methyl]carbamoyl}methyl)-N-[(furan-2-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-0077
N-({[(4-fluorophenyl)methyl][(5-methylthiophen-2-yl)methyl]carbamoyl}methyl)-N-[(furan-2-yl)methyl]propanamide

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

V027-0077

Molecular Formula

C23H25FN2O3S (C23 H25 FN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(N(CC(N(Cc1ccc(C)s1)Cc(cc1)ccc1F)=O)Cc1ccco1)=O

InChI

InChI=1S/C23H25FN2O3S/c1-3-22(27)26(14-20-5-4-12-29-20)16-23(28)25(15-21-11-6-17(2)30-21)13-18-7-9-19(24)10-8-18/h4-12H,3,13-16H2,1-2H3

InChI Key

VSSVYTQNHKZAIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19761797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.077

Distribution Coefficient, logD

4.077

Water Solubility, LogSw

-4.00

Polar Surface Area

40.373

Acid Dissociation Constant (pKa)

22.94

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

V027-0077 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 V027-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-0077?
Check Price and Availability of V027-0077, 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 V027-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-0077
  • 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 V027-0077 available by request