V011-0196 Screening compound: N-{4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl}-2H-1,3-benzodioxole-5-carboxamide

V011-0196 Screening compound: N-{4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl}-2H-1,3-benzodioxole-5-carboxamide
V011-0196 Screening compound: N-{4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl}-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-0196
N-{4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl}-2H-1,3-benzodioxole-5-carboxamide

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

V011-0196

Molecular Formula

C31H31FN4O5 (C31 H31 FN4 O5)

Compound Name

N-{4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl}-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-{4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl}-2H-13-benzodioxole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1OCO2)Nc(cc1)cc(C(N2CCCCC2)=O)c1N(CC1)CCN1C(c1cccc(F)c1)=O

InChI

InChI=1S/C31H31FN4O5/c32-23-6-4-5-22(17-23)30(38)36-15-13-34(14-16-36)26-9-8-24(19-25(26)31(39)35-11-2-1-3-12-35)33-29(37)21-7-10-27-28(18-21)41-20-40-27/h4-10,17-19H,1-3,11-16,20H2,(H,33,37)

InChI Key

UICVQMRKPDUDTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14258956

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

558.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.132

Distribution Coefficient, logD

4.132

Water Solubility, LogSw

-4.25

Polar Surface Area

76.701

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.30

References: we are preparing a list of scientific research reports with V011-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-0196?
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What is the minimum amount of V011-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-0196
  • 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 V011-0196 available by request