V002-7621 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxypropyl)(phenylcarbamoyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide

V002-7621 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxypropyl)(phenylcarbamoyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
V002-7621 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxypropyl)(phenylcarbamoyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-7621
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxypropyl)(phenylcarbamoyl)amino]-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

V002-7621

Molecular Formula

C27H31N3O5S (C27 H31 N3 O5 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxypropyl)(phenylcarbamoyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-[(3-methoxypropyl)(phenylcarbamoyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide

SMILES

Cc1c(CN(Cc(cc2)cc3c2OCO3)C(CN(CCCOC)C(Nc2ccccc2)=O)=O)scc1

InChI

InChI=1S/C27H31N3O5S/c1-20-11-14-36-25(20)17-30(16-21-9-10-23-24(15-21)35-19-34-23)26(31)18-29(12-6-13-33-2)27(32)28-22-7-4-3-5-8-22/h3-5,7-11,14-15H,6,12-13,16-19H2,1-2H3,(H,28,32)

InChI Key

NMPWJTJXWGGTQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19761905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.109

Distribution Coefficient, logD

4.109

Water Solubility, LogSw

-4.14

Polar Surface Area

67.409

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V002-7621 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V002-7621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-7621?
Check Price and Availability of V002-7621, 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 V002-7621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-7621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-7621
  • 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 V002-7621 available by request