D641-0105 Screening compound: N-(3-chlorophenyl)-3-{3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide

D641-0105 Screening compound: N-(3-chlorophenyl)-3-{3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide
D641-0105 Screening compound: N-(3-chlorophenyl)-3-{3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D641-0105
N-(3-chlorophenyl)-3-{3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}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

D641-0105

Molecular Formula

C24H21Cl2N3O2 (C24 H21 Cl2 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cc(N(CCCN2Cc(cc3)ccc3Cl)C2=O)ccc1)Nc1cccc(Cl)c1

InChI

InChI=1S/C24H21Cl2N3O2/c25-19-10-8-17(9-11-19)16-28-12-3-13-29(24(28)31)22-7-1-4-18(14-22)23(30)27-21-6-2-5-20(26)15-21/h1-2,4-11,14-15H,3,12-13,16H2,(H,27,30)

InChI Key

NHUXLJSOWMBRKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14834177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.36

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

5.685

Distribution Coefficient, logD

5.684

Water Solubility, LogSw

-5.95

Polar Surface Area

42.888

Acid Dissociation Constant (pKa)

10.00

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with D641-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D641-0105?
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What is the minimum amount of D641-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D641-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D641-0105
  • 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 D641-0105 available by request