V021-2693 Screening compound: N-(4-{3-[(2,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2-fluorobenzamide

V021-2693 Screening compound: N-(4-{3-[(2,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2-fluorobenzamide
V021-2693 Screening compound: N-(4-{3-[(2,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-2693
N-(4-{3-[(2,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2-fluorobenzamide

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

V021-2693

Molecular Formula

C26H26FN3O2 (C26 H26 FN3 O2)

Compound Name

N-(4-{3-[(2,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2-fluorobenzamide

IUPAC name

N-(4-{3-[(25-dimethylphenyl)methyl]-2-oxo-13-diazinan-1-yl}phenyl)-2-fluorobenzamide

SMILES

Cc1cc(CN(CCCN2c(cc3)ccc3NC(c(cccc3)c3F)=O)C2=O)c(C)cc1

InChI

InChI=1S/C26H26FN3O2/c1-18-8-9-19(2)20(16-18)17-29-14-5-15-30(26(29)32)22-12-10-21(11-13-22)28-25(31)23-6-3-4-7-24(23)27/h3-4,6-13,16H,5,14-15,17H2,1-2H3,(H,28,31)

InChI Key

CDXCMDHRJHCVPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19930687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.51

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

5.563

Distribution Coefficient, logD

5.562

Water Solubility, LogSw

-5.27

Polar Surface Area

42.888

Acid Dissociation Constant (pKa)

10.06

Base Dissociation Constant (pKb)

1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with V021-2693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-2693?
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What is the minimum amount of V021-2693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-2693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-2693
  • 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 V021-2693 available by request