D642-0101 Screening compound: 4-{3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-(4-methylphenyl)benzamide

D642-0101 Screening compound: 4-{3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-(4-methylphenyl)benzamide
D642-0101 Screening compound: 4-{3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-(4-methylphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D642-0101
4-{3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-(4-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

D642-0101

Molecular Formula

C25H24ClN3O2 (C25 H24 ClN3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1NC(c(cc1)ccc1N(CCCN1Cc(cc2)ccc2Cl)C1=O)=O

InChI

InChI=1S/C25H24ClN3O2/c1-18-3-11-22(12-4-18)27-24(30)20-7-13-23(14-8-20)29-16-2-15-28(25(29)31)17-19-5-9-21(26)10-6-19/h3-14H,2,15-17H2,1H3,(H,27,30)

InChI Key

BNXGAPNUWAODJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595112

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

5.266

Distribution Coefficient, logD

5.266

Water Solubility, LogSw

-5.86

Polar Surface Area

42.888

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D642-0101 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D642-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D642-0101?
Check Price and Availability of D642-0101, 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 D642-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D642-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D642-0101
  • 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 D642-0101 available by request