V016-8897 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)formamido]-N-(butan-2-yl)-2-[1-(3-methylbenzoyl)piperidin-4-yl]acetamide

V016-8897 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)formamido]-N-(butan-2-yl)-2-[1-(3-methylbenzoyl)piperidin-4-yl]acetamide
V016-8897 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)formamido]-N-(butan-2-yl)-2-[1-(3-methylbenzoyl)piperidin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-8897
2-[(2H-1,3-benzodioxol-5-yl)formamido]-N-(butan-2-yl)-2-[1-(3-methylbenzoyl)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

V016-8897

Molecular Formula

C27H33N3O5 (C27 H33 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)NC(C(C(CC1)CCN1C(c1cc(C)ccc1)=O)NC(c(cc1)cc2c1OCO2)=O)=O

InChI

InChI=1S/C27H33N3O5/c1-4-18(3)28-26(32)24(29-25(31)20-8-9-22-23(15-20)35-16-34-22)19-10-12-30(13-11-19)27(33)21-7-5-6-17(2)14-21/h5-9,14-15,18-19,24H,4,10-13,16H2,1-3H3,(H,28,32)(H,29,31)

InChI Key

SDCYMLISQLFCGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19875138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.520

Distribution Coefficient, logD

3.520

Water Solubility, LogSw

-3.57

Polar Surface Area

81.894

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.40

V016-8897 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with V016-8897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8897?
Check Price and Availability of V016-8897, 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 V016-8897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8897
  • 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 V016-8897 available by request