V028-8696 Screening compound: N-(2-{3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)thiophene-2-carboxamide

V028-8696 Screening compound: N-(2-{3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)thiophene-2-carboxamide
V028-8696 Screening compound: N-(2-{3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-8696
N-(2-{3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)thiophene-2-carboxamide

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

V028-8696

Molecular Formula

C23H22FN3O2S (C23 H22 FN3 O2 S)

Compound Name

N-(2-{3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)thiophene-2-carboxamide

IUPAC name

N-(2-{3-[(3-fluorophenyl)methyl]-2-oxo-13-diazinan-1-yl}-5-methylphenyl)thiophene-2-carboxamide

SMILES

Cc(cc1)cc(NC(c2cccs2)=O)c1N(CCCN1Cc2cc(F)ccc2)C1=O

InChI

InChI=1S/C23H22FN3O2S/c1-16-8-9-20(19(13-16)25-22(28)21-7-3-12-30-21)27-11-4-10-26(23(27)29)15-17-5-2-6-18(24)14-17/h2-3,5-9,12-14H,4,10-11,15H2,1H3,(H,25,28)

InChI Key

SLUHJKADHZTHIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19930378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.51

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

4.674

Distribution Coefficient, logD

4.674

Water Solubility, LogSw

-4.47

Polar Surface Area

42.908

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with V028-8696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-8696?
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What is the minimum amount of V028-8696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-8696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-8696
  • 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 V028-8696 available by request