V017-3078 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-cyclohexyl-1-(4-fluorophenyl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide

V017-3078 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-cyclohexyl-1-(4-fluorophenyl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide
V017-3078 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-cyclohexyl-1-(4-fluorophenyl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-3078
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-cyclohexyl-1-(4-fluorophenyl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide

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

V017-3078

Molecular Formula

C29H31FN2O4S (C29 H31 FN2 O4 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-cyclohexyl-1-(4-fluorophenyl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-[N-cyclohexyl-1-(4-fluorophenyl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide

SMILES

Cc1c(CN(Cc(cc2)cc3c2OCO3)C(CN(C2CCCCC2)C(c(cc2)ccc2F)=O)=O)scc1

InChI

InChI=1S/C29H31FN2O4S/c1-20-13-14-37-27(20)17-31(16-21-7-12-25-26(15-21)36-19-35-25)28(33)18-32(24-5-3-2-4-6-24)29(34)22-8-10-23(30)11-9-22/h7-15,24H,2-6,16-19H2,1H3

InChI Key

BGRVGUNKDITJJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19763090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.733

Distribution Coefficient, logD

5.733

Water Solubility, LogSw

-5.36

Polar Surface Area

49.240

Acid Dissociation Constant (pKa)

21.87

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.90

V017-3078 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V017-3078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-3078?
Check Price and Availability of V017-3078, 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 V017-3078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-3078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-3078
  • 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 V017-3078 available by request