V009-9935 Screening compound: [4-(2-cyclohexyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazino][3-(trifluoromethyl)phenyl]methanone

V009-9935 Screening compound: [4-(2-cyclohexyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazino][3-(trifluoromethyl)phenyl]methanone
V009-9935 Screening compound: [4-(2-cyclohexyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazino][3-(trifluoromethyl)phenyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-9935
[4-(2-cyclohexyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazino][3-(trifluoromethyl)phenyl]methanone

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

V009-9935

Molecular Formula

C29H33F3N4OS (C29 H33 F3 N4 OS)

Compound Name

[4-(2-cyclohexyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazino][3-(trifluoromethyl)phenyl]methanone

IUPAC name

5-cyclohexyl-3-{4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl}-8-thia-46-diazatricyclo[7.5.0.0^{27}]tetradeca-1(9)2(7)35-tetraene

SMILES

O=C(c1cc(C(F)(F)F)ccc1)N(CC1)CCN1c1c(c(CCCCC2)c2s2)c2nc(C2CCCCC2)n1

InChI

InChI=1S/C29H33F3N4OS/c30-29(31,32)21-11-7-10-20(18-21)28(37)36-16-14-35(15-17-36)26-24-22-12-5-2-6-13-23(22)38-27(24)34-25(33-26)19-8-3-1-4-9-19/h7,10-11,18-19H,1-6,8-9,12-17H2

InChI Key

SCGIATZRQMZNPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19852399

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

542.67

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.742

Distribution Coefficient, logD

7.075

Water Solubility, LogSw

-6.41

Polar Surface Area

39.928

Acid Dissociation Constant (pKa)

22.46

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.20

References: we are preparing a list of scientific research reports with V009-9935 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-9935?
Check Price and Availability of V009-9935, 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 V009-9935 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-9935
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-9935
  • 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 V009-9935 available by request