V006-7597 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-(3-ethoxypropyl)-1-(4-fluorophenyl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide

V006-7597 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-(3-ethoxypropyl)-1-(4-fluorophenyl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide
V006-7597 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-(3-ethoxypropyl)-1-(4-fluorophenyl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-7597
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-(3-ethoxypropyl)-1-(4-fluorophenyl)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

V006-7597

Molecular Formula

C28H31FN2O5S (C28 H31 FN2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOCCCN(CC(N(Cc1c(C)ccs1)Cc(cc1)cc2c1OCO2)=O)C(c(cc1)ccc1F)=O

InChI

InChI=1S/C28H31FN2O5S/c1-3-34-13-4-12-30(28(33)22-6-8-23(29)9-7-22)18-27(32)31(17-26-20(2)11-14-37-26)16-21-5-10-24-25(15-21)36-19-35-24/h5-11,14-15H,3-4,12-13,16-19H2,1-2H3

InChI Key

ZSYIPBGWFLRBKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19762637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.252

Distribution Coefficient, logD

4.252

Water Solubility, LogSw

-4.20

Polar Surface Area

58.223

Acid Dissociation Constant (pKa)

21.85

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

V006-7597 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V006-7597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-7597?
Check Price and Availability of V006-7597, 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 V006-7597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-7597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-7597
  • 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 V006-7597 available by request