V012-5678 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)formamido]-N-(butan-2-yl)-2-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide

V012-5678 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)formamido]-N-(butan-2-yl)-2-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide
V012-5678 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)formamido]-N-(butan-2-yl)-2-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-5678
2-[(2H-1,3-benzodioxol-5-yl)formamido]-N-(butan-2-yl)-2-[1-(3-methylbutanoyl)piperidin-4-yl]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

V012-5678

Molecular Formula

C24H35N3O5 (C24 H35 N3 O5)

Compound Name

2-[(2H-1,3-benzodioxol-5-yl)formamido]-N-(butan-2-yl)-2-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide

IUPAC name

2-[(2H-13-benzodioxol-5-yl)formamido]-N-(butan-2-yl)-2-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide

SMILES

CCC(C)NC(C(C(CC1)CCN1C(CC(C)C)=O)NC(c(cc1)cc2c1OCO2)=O)=O

InChI

InChI=1S/C24H35N3O5/c1-5-16(4)25-24(30)22(17-8-10-27(11-9-17)21(28)12-15(2)3)26-23(29)18-6-7-19-20(13-18)32-14-31-19/h6-7,13,15-17,22H,5,8-12,14H2,1-4H3,(H,25,30)(H,26,29)

InChI Key

CZTMINFCHBFOJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19875127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.194

Distribution Coefficient, logD

3.194

Water Solubility, LogSw

-3.39

Polar Surface Area

81.638

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

62.50

V012-5678 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V012-5678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-5678?
Check Price and Availability of V012-5678, 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 V012-5678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-5678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-5678
  • 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 V012-5678 available by request