V012-2586 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[1-(4-methoxyphenyl)-N-(2-methylbutyl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide

V012-2586 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[1-(4-methoxyphenyl)-N-(2-methylbutyl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide
V012-2586 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[1-(4-methoxyphenyl)-N-(2-methylbutyl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-2586
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[1-(4-methoxyphenyl)-N-(2-methylbutyl)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

V012-2586

Molecular Formula

C29H34N2O5S (C29 H34 N2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)CN(CC(N(Cc1c(C)ccs1)Cc(cc1)cc2c1OCO2)=O)C(c(cc1)ccc1OC)=O

InChI

InChI=1S/C29H34N2O5S/c1-5-20(2)15-31(29(33)23-7-9-24(34-4)10-8-23)18-28(32)30(17-27-21(3)12-13-37-27)16-22-6-11-25-26(14-22)36-19-35-25/h6-14,20H,5,15-19H2,1-4H3/t20-/m0/s1

InChI Key

QESUKGKLEWHGEH-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19758776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.67

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.444

Distribution Coefficient, logD

5.444

Water Solubility, LogSw

-5.47

Polar Surface Area

57.811

Acid Dissociation Constant (pKa)

21.82

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.90

V012-2586 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 V012-2586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-2586?
Check Price and Availability of V012-2586, 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 V012-2586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-2586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-2586
  • 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 V012-2586 available by request