V020-0130 Screening compound: N-(4-{3-[(3-chloro-2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2H-1,3-benzodioxole-5-carboxamide

V020-0130 Screening compound: N-(4-{3-[(3-chloro-2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
V020-0130 Screening compound: N-(4-{3-[(3-chloro-2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-0130
N-(4-{3-[(3-chloro-2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}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

V020-0130

Molecular Formula

C25H21ClFN3O4 (C25 H21 ClFN3 O4)

Compound Name

N-(4-{3-[(3-chloro-2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-(4-{3-[(3-chloro-2-fluorophenyl)methyl]-2-oxo-13-diazinan-1-yl}phenyl)-2H-13-benzodioxole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1OCO2)Nc(cc1)ccc1N(CCCN1Cc2cccc(Cl)c2F)C1=O

InChI

InChI=1S/C25H21ClFN3O4/c26-20-4-1-3-17(23(20)27)14-29-11-2-12-30(25(29)32)19-8-6-18(7-9-19)28-24(31)16-5-10-21-22(13-16)34-15-33-21/h1,3-10,13H,2,11-12,14-15H2,(H,28,31)

InChI Key

AHDPGYZBZNHFHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19929690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.253

Distribution Coefficient, logD

5.253

Water Solubility, LogSw

-5.91

Polar Surface Area

60.004

Acid Dissociation Constant (pKa)

11.91

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with V020-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-0130?
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What is the minimum amount of V020-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-0130
  • 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 V020-0130 available by request