D642-0129 Screening compound: 4-{3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-phenylbenzamide

D642-0129 Screening compound: 4-{3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-phenylbenzamide
D642-0129 Screening compound: 4-{3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-phenylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D642-0129
4-{3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-phenylbenzamide

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

D642-0129

Molecular Formula

C24H22FN3O2 (C24 H22 FN3 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)ccc1N(CCCN1Cc(cc2)ccc2F)C1=O)Nc1ccccc1

InChI

InChI=1S/C24H22FN3O2/c25-20-11-7-18(8-12-20)17-27-15-4-16-28(24(27)30)22-13-9-19(10-14-22)23(29)26-21-5-2-1-3-6-21/h1-3,5-14H,4,15-17H2,(H,26,29)

InChI Key

XUZZKJHXSXMDDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.46

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

4.085

Distribution Coefficient, logD

4.085

Water Solubility, LogSw

-4.16

Polar Surface Area

42.888

Acid Dissociation Constant (pKa)

11.01

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D642-0129 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with D642-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D642-0129?
Check Price and Availability of D642-0129, 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 D642-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D642-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D642-0129
  • 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 D642-0129 available by request