V012-0428 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-cyclohexyl-1-(2,4-dichlorophenyl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide

V012-0428 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-cyclohexyl-1-(2,4-dichlorophenyl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide
V012-0428 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-cyclohexyl-1-(2,4-dichlorophenyl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-0428
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-cyclohexyl-1-(2,4-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

V012-0428

Molecular Formula

C29H30Cl2N2O4S (C29 H30 Cl2 N2 O4 S)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-[N-cyclohexyl-1-(24-dichlorophenyl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide

SMILES

Cc1c(CN(Cc(cc2)cc3c2OCO3)C(CN(C2CCCCC2)C(c(ccc(Cl)c2)c2Cl)=O)=O)scc1

InChI

InChI=1S/C29H30Cl2N2O4S/c1-19-11-12-38-27(19)16-32(15-20-7-10-25-26(13-20)37-18-36-25)28(34)17-33(22-5-3-2-4-6-22)29(35)23-9-8-21(30)14-24(23)31/h7-14,22H,2-6,15-18H2,1H3

InChI Key

QNESDFDDDUSZPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19771390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

573.54

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

6.752

Distribution Coefficient, logD

6.752

Water Solubility, LogSw

-6.34

Polar Surface Area

49.240

Acid Dissociation Constant (pKa)

21.63

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.90

V012-0428 in Drug Discovery

Included in Screening Libraries

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

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 V012-0428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-0428?
Check Price and Availability of V012-0428, 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 V012-0428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-0428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-0428
  • 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 V012-0428 available by request