V009-9360 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-butyl-1-(3,4-dichlorophenyl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide

V009-9360 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-butyl-1-(3,4-dichlorophenyl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide
V009-9360 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-butyl-1-(3,4-dichlorophenyl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-9360
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-butyl-1-(3,4-dichlorophenyl)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

V009-9360

Molecular Formula

C27H28Cl2N2O4S (C27 H28 Cl2 N2 O4 S)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-[N-butyl-1-(34-dichlorophenyl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide

SMILES

CCCCN(CC(N(Cc1c(C)ccs1)Cc(cc1)cc2c1OCO2)=O)C(c(cc1)cc(Cl)c1Cl)=O

InChI

InChI=1S/C27H28Cl2N2O4S/c1-3-4-10-30(27(33)20-6-7-21(28)22(29)13-20)16-26(32)31(15-25-18(2)9-11-36-25)14-19-5-8-23-24(12-19)35-17-34-23/h5-9,11-13H,3-4,10,14-17H2,1-2H3

InChI Key

WHXADXYOBFFQLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19758716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.188

Distribution Coefficient, logD

6.188

Water Solubility, LogSw

-6.22

Polar Surface Area

50.245

Acid Dissociation Constant (pKa)

21.47

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V009-9360 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V009-9360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-9360?
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What is the minimum amount of V009-9360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-9360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-9360
  • 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 V009-9360 available by request