D641-0103 Screening compound: 3-{3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-(3-methylphenyl)benzamide

D641-0103 Screening compound: 3-{3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-(3-methylphenyl)benzamide
D641-0103 Screening compound: 3-{3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-(3-methylphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D641-0103
3-{3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-(3-methylphenyl)benzamide

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

D641-0103

Molecular Formula

C25H24ClN3O2 (C25 H24 ClN3 O2)

Compound Name

3-{3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-(3-methylphenyl)benzamide

IUPAC name

3-{3-[(4-chlorophenyl)methyl]-2-oxo-13-diazinan-1-yl}-N-(3-methylphenyl)benzamide

SMILES

Cc1cccc(NC(c2cccc(N(CCCN3Cc(cc4)ccc4Cl)C3=O)c2)=O)c1

InChI

InChI=1S/C25H24ClN3O2/c1-18-5-2-7-22(15-18)27-24(30)20-6-3-8-23(16-20)29-14-4-13-28(25(29)31)17-19-9-11-21(26)12-10-19/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,27,30)

InChI Key

FLTREKXBCAXWQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14834175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.94

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

5.292

Distribution Coefficient, logD

5.292

Water Solubility, LogSw

-5.83

Polar Surface Area

42.888

Acid Dissociation Constant (pKa)

12.06

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D641-0103 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D641-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D641-0103?
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What is the minimum amount of D641-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D641-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D641-0103
  • 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 D641-0103 available by request