V002-8368 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-{N-[2-(pyrrolidin-1-yl)ethyl]-1-(thiophen-2-yl)formamido}acetamide

V002-8368 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-{N-[2-(pyrrolidin-1-yl)ethyl]-1-(thiophen-2-yl)formamido}acetamide
V002-8368 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-{N-[2-(pyrrolidin-1-yl)ethyl]-1-(thiophen-2-yl)formamido}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-8368
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-{N-[2-(pyrrolidin-1-yl)ethyl]-1-(thiophen-2-yl)formamido}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

V002-8368

Molecular Formula

C27H31N3O4S2 (C27 H31 N3 O4 S2)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-{N-[2-(pyrrolidin-1-yl)ethyl]-1-(thiophen-2-yl)formamido}acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-{N-[2-(pyrrolidin-1-yl)ethyl]-1-(thiophen-2-yl)formamido}acetamide

SMILES

Cc1c(CN(Cc(cc2)cc3c2OCO3)C(CN(CCN2CCCC2)C(c2cccs2)=O)=O)scc1

InChI

InChI=1S/C27H31N3O4S2/c1-20-8-14-36-25(20)17-30(16-21-6-7-22-23(15-21)34-19-33-22)26(31)18-29(12-11-28-9-2-3-10-28)27(32)24-5-4-13-35-24/h4-8,13-15H,2-3,9-12,16-19H2,1H3

InChI Key

NMJURBKNXYPFKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19763293

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

525.69

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.109

Distribution Coefficient, logD

2.865

Water Solubility, LogSw

-4.12

Polar Surface Area

55.341

Acid Dissociation Constant (pKa)

22.72

Base Dissociation Constant (pKb)

8.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

V002-8368 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 V002-8368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-8368?
Check Price and Availability of V002-8368, 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 V002-8368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-8368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-8368
  • 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 V002-8368 available by request