V008-6261 Screening compound: N-{2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]pyridin-3-yl}-2H-1,3-benzodioxole-5-carboxamide

V008-6261 Screening compound: N-{2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]pyridin-3-yl}-2H-1,3-benzodioxole-5-carboxamide
V008-6261 Screening compound: N-{2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]pyridin-3-yl}-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-6261
N-{2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]pyridin-3-yl}-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

V008-6261

Molecular Formula

C24H20ClFN4O4 (C24 H20 ClFN4 O4)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)cc2c1OCO2)Nc1cccnc1N(CC1)CCN1C(c(ccc(Cl)c1)c1F)=O

InChI

InChI=1S/C24H20ClFN4O4/c25-16-4-5-17(18(26)13-16)24(32)30-10-8-29(9-11-30)22-19(2-1-7-27-22)28-23(31)15-3-6-20-21(12-15)34-14-33-20/h1-7,12-13H,8-11,14H2,(H,28,31)

InChI Key

KHJUIUCMHPDNFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19946013

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

482.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.231

Distribution Coefficient, logD

4.216

Water Solubility, LogSw

-4.59

Polar Surface Area

68.637

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with V008-6261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-6261?
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What is the minimum amount of V008-6261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-6261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-6261
  • 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 V008-6261 available by request