V016-9997 Screening compound: 2-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)-2-(phenylformamido)acetamide

V016-9997 Screening compound: 2-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)-2-(phenylformamido)acetamide
V016-9997 Screening compound: 2-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)-2-(phenylformamido)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-9997
2-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)-2-(phenylformamido)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

V016-9997

Molecular Formula

C25H29N3O6 (C25 H29 N3 O6)

Compound Name

2-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)-2-(phenylformamido)acetamide

IUPAC name

2-[1-(2H-13-benzodioxole-5-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)-2-(phenylformamido)acetamide

SMILES

COCCNC(C(C(CC1)CCN1C(c(cc1)cc2c1OCO2)=O)NC(c1ccccc1)=O)=O

InChI

InChI=1S/C25H29N3O6/c1-32-14-11-26-24(30)22(27-23(29)18-5-3-2-4-6-18)17-9-12-28(13-10-17)25(31)19-7-8-20-21(15-19)34-16-33-20/h2-8,15,17,22H,9-14,16H2,1H3,(H,26,30)(H,27,29)/t22-/m0/s1

InChI Key

WCZGLJPXAYKNHQ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19875466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.755

Distribution Coefficient, logD

1.755

Water Solubility, LogSw

-2.33

Polar Surface Area

90.636

Acid Dissociation Constant (pKa)

11.94

Base Dissociation Constant (pKb)

0.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with V016-9997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-9997?
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What is the minimum amount of V016-9997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-9997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-9997
  • 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 V016-9997 available by request