V028-9691 Screening compound: 1-(4-{3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-ethylurea

V028-9691 Screening compound: 1-(4-{3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-ethylurea
V028-9691 Screening compound: 1-(4-{3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-ethylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-9691
1-(4-{3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-ethylurea

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

V028-9691

Molecular Formula

C20H23ClN4O2 (C20 H23 ClN4 O2)

Compound Name

1-(4-{3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-ethylurea

IUPAC name

1-(4-{3-[(3-chlorophenyl)methyl]-2-oxo-13-diazinan-1-yl}phenyl)-3-ethylurea

SMILES

CCNC(Nc(cc1)ccc1N(CCCN1Cc2cccc(Cl)c2)C1=O)=O

InChI

InChI=1S/C20H23ClN4O2/c1-2-22-19(26)23-17-7-9-18(10-8-17)25-12-4-11-24(20(25)27)14-15-5-3-6-16(21)13-15/h3,5-10,13H,2,4,11-12,14H2,1H3,(H2,22,23,26)

InChI Key

LHPALRZPJRBYGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19897471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.876

Distribution Coefficient, logD

3.876

Water Solubility, LogSw

-4.15

Polar Surface Area

53.319

Acid Dissociation Constant (pKa)

13.61

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with V028-9691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-9691?
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What is the minimum amount of V028-9691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-9691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-9691
  • 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 V028-9691 available by request