V003-5638 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[1-(4-bromophenyl)-N-[2-(morpholin-4-yl)ethyl]formamido]-N-[(furan-2-yl)methyl]acetamide

V003-5638 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[1-(4-bromophenyl)-N-[2-(morpholin-4-yl)ethyl]formamido]-N-[(furan-2-yl)methyl]acetamide
V003-5638 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[1-(4-bromophenyl)-N-[2-(morpholin-4-yl)ethyl]formamido]-N-[(furan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-5638
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[1-(4-bromophenyl)-N-[2-(morpholin-4-yl)ethyl]formamido]-N-[(furan-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

V003-5638

Molecular Formula

C28H30BrN3O6 (C28 H30 BrN3 O6)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[1-(4-bromophenyl)-N-[2-(morpholin-4-yl)ethyl]formamido]-N-[(furan-2-yl)methyl]acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-[1-(4-bromophenyl)-N-[2-(morpholin-4-yl)ethyl]formamido]-N-[(furan-2-yl)methyl]acetamide

SMILES

O=C(CN(CCN1CCOCC1)C(c(cc1)ccc1Br)=O)N(Cc1ccco1)Cc(cc1)cc2c1OCO2

InChI

InChI=1S/C28H30BrN3O6/c29-23-6-4-22(5-7-23)28(34)31(10-9-30-11-14-35-15-12-30)19-27(33)32(18-24-2-1-13-36-24)17-21-3-8-25-26(16-21)38-20-37-25/h1-8,13,16H,9-12,14-15,17-20H2

InChI Key

AIHHYDAEGSTPGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19750345

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

584.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.185

Distribution Coefficient, logD

3.180

Water Solubility, LogSw

-3.16

Polar Surface Area

68.595

Acid Dissociation Constant (pKa)

21.89

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

V003-5638 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 V003-5638 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-5638?
Check Price and Availability of V003-5638, 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 V003-5638 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-5638
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-5638
  • 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 V003-5638 available by request