V013-9306 Screening compound: (4-chloro-3-nitrophenyl)[4-(2-cyclohexyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazino]methanone

V013-9306 Screening compound: (4-chloro-3-nitrophenyl)[4-(2-cyclohexyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazino]methanone
V013-9306 Screening compound: (4-chloro-3-nitrophenyl)[4-(2-cyclohexyl-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 V013-9306
(4-chloro-3-nitrophenyl)[4-(2-cyclohexyl-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

V013-9306

Molecular Formula

C28H32ClN5O3S (C28 H32 ClN5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc(cc1)C(N(CC2)CCN2c2nc(C3CCCCC3)nc3c2c(CCCCC2)c2s3)=O)c1Cl)=O

InChI

InChI=1S/C28H32ClN5O3S/c29-21-12-11-19(17-22(21)34(36)37)28(35)33-15-13-32(14-16-33)26-24-20-9-5-2-6-10-23(20)38-27(24)31-25(30-26)18-7-3-1-4-8-18/h11-12,17-18H,1-10,13-16H2

InChI Key

KYVIBPOIPSRJLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19852401

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

554.11

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.154

Distribution Coefficient, logD

6.487

Water Solubility, LogSw

-6.76

Polar Surface Area

73.009

Acid Dissociation Constant (pKa)

22.46

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.60

References: we are preparing a list of scientific research reports with V013-9306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-9306?
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What is the minimum amount of V013-9306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-9306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-9306
  • 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 V013-9306 available by request