V029-0268 Screening compound: N-(2-chloro-5-{3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2-methylbenzamide

V029-0268 Screening compound: N-(2-chloro-5-{3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2-methylbenzamide
V029-0268 Screening compound: N-(2-chloro-5-{3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-0268
N-(2-chloro-5-{3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2-methylbenzamide

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

V029-0268

Molecular Formula

C25H23Cl2N3O2 (C25 H23 Cl2 N3 O2)

Compound Name

N-(2-chloro-5-{3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2-methylbenzamide

IUPAC name

N-(2-chloro-5-{3-[(3-chlorophenyl)methyl]-2-oxo-13-diazinan-1-yl}phenyl)-2-methylbenzamide

SMILES

Cc(cccc1)c1C(Nc(cc(cc1)N(CCCN2Cc3cc(Cl)ccc3)C2=O)c1Cl)=O

InChI

InChI=1S/C25H23Cl2N3O2/c1-17-6-2-3-9-21(17)24(31)28-23-15-20(10-11-22(23)27)30-13-5-12-29(25(30)32)16-18-7-4-8-19(26)14-18/h2-4,6-11,14-15H,5,12-13,16H2,1H3,(H,28,31)

InChI Key

IOVLVHWOALPCFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19931635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.660

Distribution Coefficient, logD

5.545

Water Solubility, LogSw

-5.80

Polar Surface Area

42.190

Acid Dissociation Constant (pKa)

7.92

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with V029-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-0268?
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What is the minimum amount of V029-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-0268
  • 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 V029-0268 available by request