V030-0659 Screening compound: N-[2-(2-oxo-3-{[4-(trifluoromethoxy)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]furan-2-carboxamide

V030-0659 Screening compound: N-[2-(2-oxo-3-{[4-(trifluoromethoxy)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]furan-2-carboxamide
V030-0659 Screening compound: N-[2-(2-oxo-3-{[4-(trifluoromethoxy)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-0659
N-[2-(2-oxo-3-{[4-(trifluoromethoxy)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]furan-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

V030-0659

Molecular Formula

C23H20F3N3O4 (C23 H20 F3 N3 O4)

Compound Name

N-[2-(2-oxo-3-{[4-(trifluoromethoxy)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]furan-2-carboxamide

IUPAC name

N-[2-(2-oxo-3-{[4-(trifluoromethoxy)phenyl]methyl}-13-diazinan-1-yl)phenyl]furan-2-carboxamide

SMILES

O=C(c1ccco1)Nc(cccc1)c1N(CCCN1Cc(cc2)ccc2OC(F)(F)F)C1=O

InChI

InChI=1S/C23H20F3N3O4/c24-23(25,26)33-17-10-8-16(9-11-17)15-28-12-4-13-29(22(28)31)19-6-2-1-5-18(19)27-21(30)20-7-3-14-32-20/h1-3,5-11,14H,4,12-13,15H2,(H,27,30)

InChI Key

XKUSYPMBBYPLKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19929890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.767

Distribution Coefficient, logD

4.765

Water Solubility, LogSw

-4.59

Polar Surface Area

56.405

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

-0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

V030-0659 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V030-0659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-0659?
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What is the minimum amount of V030-0659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-0659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-0659
  • 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 V030-0659 available by request