V024-4572 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-butyl-1-(4-chlorophenyl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide

V024-4572 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-butyl-1-(4-chlorophenyl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide
V024-4572 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-butyl-1-(4-chlorophenyl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-4572
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-butyl-1-(4-chlorophenyl)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

V024-4572

Molecular Formula

C27H29ClN2O4S (C27 H29 ClN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(CC(N(Cc1c(C)ccs1)Cc(cc1)cc2c1OCO2)=O)C(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C27H29ClN2O4S/c1-3-4-12-29(27(32)21-6-8-22(28)9-7-21)17-26(31)30(16-25-19(2)11-13-35-25)15-20-5-10-23-24(14-20)34-18-33-23/h5-11,13-14H,3-4,12,15-18H2,1-2H3

InChI Key

ZFSDWSALOBMYOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10459638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.06

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.583

Distribution Coefficient, logD

5.583

Water Solubility, LogSw

-5.93

Polar Surface Area

50.245

Acid Dissociation Constant (pKa)

21.85

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V024-4572 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V024-4572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-4572?
Check Price and Availability of V024-4572, 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 V024-4572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-4572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-4572
  • 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 V024-4572 available by request