V018-8823 Screening compound: N-(2-{3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)furan-2-carboxamide

V018-8823 Screening compound: N-(2-{3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)furan-2-carboxamide
V018-8823 Screening compound: N-(2-{3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-8823
N-(2-{3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)furan-2-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

V018-8823

Molecular Formula

C25H27N3O3 (C25 H27 N3 O3)

Compound Name

N-(2-{3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)furan-2-carboxamide

IUPAC name

N-(2-{3-[(35-dimethylphenyl)methyl]-2-oxo-13-diazinan-1-yl}-5-methylphenyl)furan-2-carboxamide

SMILES

Cc(cc1)cc(NC(c2ccco2)=O)c1N(CCCN1Cc2cc(C)cc(C)c2)C1=O

InChI

InChI=1S/C25H27N3O3/c1-17-7-8-22(21(15-17)26-24(29)23-6-4-11-31-23)28-10-5-9-27(25(28)30)16-20-13-18(2)12-19(3)14-20/h4,6-8,11-15H,5,9-10,16H2,1-3H3,(H,26,29)

InChI Key

YBIRHGIWJXZWIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19930629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.191

Distribution Coefficient, logD

5.190

Water Solubility, LogSw

-5.00

Polar Surface Area

50.468

Acid Dissociation Constant (pKa)

9.98

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with V018-8823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-8823?
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What is the minimum amount of V018-8823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-8823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-8823
  • 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 V018-8823 available by request