V013-5679 Screening compound: N-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-2,6-difluorobenzamide

V013-5679 Screening compound: N-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-2,6-difluorobenzamide
V013-5679 Screening compound: N-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-2,6-difluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-5679
N-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-2,6-difluorobenzamide

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

V013-5679

Molecular Formula

C24H21F2N3O2 (C24 H21 F2 N3 O2)

Compound Name

N-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-2,6-difluorobenzamide

IUPAC name

N-[4-(3-benzyl-2-oxo-13-diazinan-1-yl)phenyl]-26-difluorobenzamide

SMILES

O=C(c(c(F)ccc1)c1F)Nc(cc1)ccc1N(CCCN1Cc2ccccc2)C1=O

InChI

InChI=1S/C24H21F2N3O2/c25-20-8-4-9-21(26)22(20)23(30)27-18-10-12-19(13-11-18)29-15-5-14-28(24(29)31)16-17-6-2-1-3-7-17/h1-4,6-13H,5,14-16H2,(H,27,30)

InChI Key

CNHKLIYRQBHGKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19929516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.45

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

4.542

Distribution Coefficient, logD

4.534

Water Solubility, LogSw

-4.44

Polar Surface Area

42.888

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with V013-5679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-5679?
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What is the minimum amount of V013-5679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-5679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-5679
  • 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 V013-5679 available by request