V016-8235 Screening compound: [4-(2-cyclopropyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazino][3-(trifluoromethyl)phenyl]methanone

V016-8235 Screening compound: [4-(2-cyclopropyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazino][3-(trifluoromethyl)phenyl]methanone
V016-8235 Screening compound: [4-(2-cyclopropyl-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 V016-8235
[4-(2-cyclopropyl-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

V016-8235

Molecular Formula

C26H27F3N4OS (C26 H27 F3 N4 OS)

Compound Name

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

IUPAC name

5-cyclopropyl-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(C2CC2)n1

InChI

InChI=1S/C26H27F3N4OS/c27-26(28,29)18-6-4-5-17(15-18)25(34)33-13-11-32(12-14-33)23-21-19-7-2-1-3-8-20(19)35-24(21)31-22(30-23)16-9-10-16/h4-6,15-16H,1-3,7-14H2

InChI Key

IFODQNREPRRGME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19852361

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

500.59

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

6.539

Distribution Coefficient, logD

4.814

Water Solubility, LogSw

-6.42

Polar Surface Area

40.259

Acid Dissociation Constant (pKa)

22.46

Base Dissociation Constant (pKb)

9.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

V016-8235 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 V016-8235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8235?
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What is the minimum amount of V016-8235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8235
  • 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 V016-8235 available by request