V009-7856 Screening compound: 2-{[4-(adamantane-1-carbonyl)-1,4-diazepan-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one

V009-7856 Screening compound: 2-{[4-(adamantane-1-carbonyl)-1,4-diazepan-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
V009-7856 Screening compound: 2-{[4-(adamantane-1-carbonyl)-1,4-diazepan-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-7856
2-{[4-(adamantane-1-carbonyl)-1,4-diazepan-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one

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

V009-7856

Molecular Formula

C30H35F3N2O4 (C30 H35 F3 N2 O4)

Compound Name

2-{[4-(adamantane-1-carbonyl)-1,4-diazepan-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one

IUPAC name

2-({4-[(3R5S7s)-adamantane-1-carbonyl]-14-diazepan-1-yl}methyl)-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one

SMILES

O=C(C1(C[C@H](C2)C3)C[C@H]3C[C@H]2C1)N1CCN(CC(OC=C2OCc3ccc(C(F)(F)F)cc3)=CC2=O)CCC1

InChI

InChI=1S/C30H35F3N2O4/c31-30(32,33)24-4-2-20(3-5-24)18-39-27-19-38-25(13-26(27)36)17-34-6-1-7-35(9-8-34)28(37)29-14-21-10-22(15-29)12-23(11-21)16-29/h2-5,13,19,21-23H,1,6-12,14-18H2

InChI Key

JBLJSQDXQWVULO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

544.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.426

Distribution Coefficient, logD

5.394

Water Solubility, LogSw

-5.83

Polar Surface Area

50.704

Acid Dissociation Constant (pKa)

24.62

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

V009-7856 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Ion Channels
  • Phosphatases

References: we are preparing a list of scientific research reports with V009-7856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-7856?
Check Price and Availability of V009-7856, 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 V009-7856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-7856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-7856
  • 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 V009-7856 available by request