V008-4067 Screening compound: 5-{[4-(tert-butyl)benzyl]oxy}-2-[(4-{[3-(trifluoromethoxy)phenyl]sulfonyl}-1,4-diazepan-1-yl)methyl]-4H-pyran-4-one

V008-4067 Screening compound: 5-{[4-(tert-butyl)benzyl]oxy}-2-[(4-{[3-(trifluoromethoxy)phenyl]sulfonyl}-1,4-diazepan-1-yl)methyl]-4H-pyran-4-one
V008-4067 Screening compound: 5-{[4-(tert-butyl)benzyl]oxy}-2-[(4-{[3-(trifluoromethoxy)phenyl]sulfonyl}-1,4-diazepan-1-yl)methyl]-4H-pyran-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4067
5-{[4-(tert-butyl)benzyl]oxy}-2-[(4-{[3-(trifluoromethoxy)phenyl]sulfonyl}-1,4-diazepan-1-yl)methyl]-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

V008-4067

Molecular Formula

C29H33F3N2O6S (C29 H33 F3 N2 O6 S)

Compound Name

5-{[4-(tert-butyl)benzyl]oxy}-2-[(4-{[3-(trifluoromethoxy)phenyl]sulfonyl}-1,4-diazepan-1-yl)methyl]-4H-pyran-4-one

IUPAC name

5-[(4-tert-butylphenyl)methoxy]-2-({4-[3-(trifluoromethoxy)benzenesulfonyl]-14-diazepan-1-yl}methyl)-4H-pyran-4-one

SMILES

CC(C)(C)c1ccc(COC2=COC(CN(CCC3)CCN3S(c3cc(OC(F)(F)F)ccc3)(=O)=O)=CC2=O)cc1

InChI

InChI=1S/C29H33F3N2O6S/c1-28(2,3)22-10-8-21(9-11-22)19-39-27-20-38-24(17-26(27)35)18-33-12-5-13-34(15-14-33)41(36,37)25-7-4-6-23(16-25)40-29(30,31)32/h4,6-11,16-17,20H,5,12-15,18-19H2,1-3H3

InChI Key

QSZQGEHWCPJBRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19966252

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

594.65

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.787

Distribution Coefficient, logD

5.787

Water Solubility, LogSw

-5.49

Polar Surface Area

71.670

Acid Dissociation Constant (pKa)

27.10

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.38

References: we are preparing a list of scientific research reports with V008-4067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4067?
Check Price and Availability of V008-4067, 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 V008-4067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4067
  • 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 V008-4067 available by request