V018-9956 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)formamido]-2-[1-(4-chlorobenzoyl)piperidin-4-yl]-N-(2-methylpropyl)acetamide

V018-9956 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)formamido]-2-[1-(4-chlorobenzoyl)piperidin-4-yl]-N-(2-methylpropyl)acetamide
V018-9956 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)formamido]-2-[1-(4-chlorobenzoyl)piperidin-4-yl]-N-(2-methylpropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-9956
2-[(2H-1,3-benzodioxol-5-yl)formamido]-2-[1-(4-chlorobenzoyl)piperidin-4-yl]-N-(2-methylpropyl)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

V018-9956

Molecular Formula

C26H30ClN3O5 (C26 H30 ClN3 O5)

Compound Name

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

IUPAC name

2-[(2H-13-benzodioxol-5-yl)formamido]-2-[1-(4-chlorobenzoyl)piperidin-4-yl]-N-(2-methylpropyl)acetamide

SMILES

CC(C)CNC(C(C(CC1)CCN1C(c(cc1)ccc1Cl)=O)NC(c(cc1)cc2c1OCO2)=O)=O

InChI

InChI=1S/C26H30ClN3O5/c1-16(2)14-28-25(32)23(29-24(31)19-5-8-21-22(13-19)35-15-34-21)17-9-11-30(12-10-17)26(33)18-3-6-20(27)7-4-18/h3-8,13,16-17,23H,9-12,14-15H2,1-2H3,(H,28,32)(H,29,31)/t23-/m0/s1

InChI Key

VUMOSLQARBAWTQ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19875081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.99

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

3.716

Distribution Coefficient, logD

3.716

Water Solubility, LogSw

-4.32

Polar Surface Area

82.453

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

V018-9956 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V018-9956 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-9956?
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What is the minimum amount of V018-9956 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-9956
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-9956
  • 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 V018-9956 available by request