V002-7602 Screening compound: (4-fluorophenyl)[4-(2-isopropyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazino]methanone

V002-7602 Screening compound: (4-fluorophenyl)[4-(2-isopropyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazino]methanone
V002-7602 Screening compound: (4-fluorophenyl)[4-(2-isopropyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazino]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-7602
(4-fluorophenyl)[4-(2-isopropyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazino]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

V002-7602

Molecular Formula

C25H29FN4OS (C25 H29 FN4 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c1nc(N(CC2)CCN2C(c(cc2)ccc2F)=O)c(c(CCCCC2)c2s2)c2n1

InChI

InChI=1S/C25H29FN4OS/c1-16(2)22-27-23(21-19-6-4-3-5-7-20(19)32-24(21)28-22)29-12-14-30(15-13-29)25(31)17-8-10-18(26)11-9-17/h8-11,16H,3-7,12-15H2,1-2H3

InChI Key

PUBFEKGLXIWMIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19852465

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

452.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.947

Distribution Coefficient, logD

5.451

Water Solubility, LogSw

-5.57

Polar Surface Area

40.008

Acid Dissociation Constant (pKa)

22.46

Base Dissociation Constant (pKb)

7.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

V002-7602 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V002-7602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-7602?
Check Price and Availability of V002-7602, 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 V002-7602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-7602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-7602
  • 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 V002-7602 available by request