V011-2282 Screening compound: 2-[4-(2-isopropyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)tetrahydro-1-pyrazinyl]ethyl phenyl ether

V011-2282 Screening compound: 2-[4-(2-isopropyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)tetrahydro-1-pyrazinyl]ethyl phenyl ether
V011-2282 Screening compound: 2-[4-(2-isopropyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)tetrahydro-1-pyrazinyl]ethyl phenyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-2282
2-[4-(2-isopropyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)tetrahydro-1-pyrazinyl]ethyl phenyl ether

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

V011-2282

Molecular Formula

C26H34N4OS (C26 H34 N4 OS)

Compound Name

2-[4-(2-isopropyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)tetrahydro-1-pyrazinyl]ethyl phenyl ether

IUPAC name

3-[4-(2-phenoxyethyl)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(N2CCN(CCOc3ccccc3)CC2)c(c(CCCCC2)c2s2)c2n1

InChI

InChI=1S/C26H34N4OS/c1-19(2)24-27-25(23-21-11-7-4-8-12-22(21)32-26(23)28-24)30-15-13-29(14-16-30)17-18-31-20-9-5-3-6-10-20/h3,5-6,9-10,19H,4,7-8,11-18H2,1-2H3

InChI Key

XYATZHDCOQJELU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19852670

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

450.65

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.695

Distribution Coefficient, logD

6.199

Water Solubility, LogSw

-5.93

Polar Surface Area

34.488

Acid Dissociation Constant (pKa)

22.35

Base Dissociation Constant (pKb)

7.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

V011-2282 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V011-2282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-2282?
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What is the minimum amount of V011-2282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-2282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-2282
  • 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 V011-2282 available by request