V013-1130 Screening compound: N-(2-{3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-2-methylpropanamide

V013-1130 Screening compound: N-(2-{3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-2-methylpropanamide
V013-1130 Screening compound: N-(2-{3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-1130
N-(2-{3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-2-methylpropanamide

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

V013-1130

Molecular Formula

C22H26ClN3O2 (C22 H26 ClN3 O2)

Compound Name

N-(2-{3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-2-methylpropanamide

IUPAC name

N-(2-{3-[(3-chlorophenyl)methyl]-2-oxo-13-diazinan-1-yl}-5-methylphenyl)-2-methylpropanamide

SMILES

CC(C)C(Nc(cc(C)cc1)c1N(CCCN1Cc2cccc(Cl)c2)C1=O)=O

InChI

InChI=1S/C22H26ClN3O2/c1-15(2)21(27)24-19-12-16(3)8-9-20(19)26-11-5-10-25(22(26)28)14-17-6-4-7-18(23)13-17/h4,6-9,12-13,15H,5,10-11,14H2,1-3H3,(H,24,27)

InChI Key

LCRZRGQGDQDWMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19930329

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.92

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

4.735

Distribution Coefficient, logD

4.735

Water Solubility, LogSw

-4.71

Polar Surface Area

42.161

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

0.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with V013-1130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-1130?
Check Price and Availability of V013-1130, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V013-1130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-1130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-1130
  • 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 V013-1130 available by request