V011-5322 Screening compound: ethyl 4-(2-benzyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)tetrahydro-1(2H)-pyrazinecarboxylate

V011-5322 Screening compound: ethyl 4-(2-benzyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)tetrahydro-1(2H)-pyrazinecarboxylate
V011-5322 Screening compound: ethyl 4-(2-benzyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)tetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-5322
ethyl 4-(2-benzyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)tetrahydro-1(2H)-pyrazinecarboxylate

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

V011-5322

Molecular Formula

C25H30N4O2S (C25 H30 N4 O2 S)

Compound Name

ethyl 4-(2-benzyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)tetrahydro-1(2H)-pyrazinecarboxylate

IUPAC name

ethyl 4-{5-benzyl-8-thia-46-diazatricyclo[7.5.0.0^{27}]tetradeca-1(9)2(7)35-tetraen-3-yl}piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1c1c(c(CCCCC2)c2s2)c2nc(Cc2ccccc2)n1)=O

InChI

InChI=1S/C25H30N4O2S/c1-2-31-25(30)29-15-13-28(14-16-29)23-22-19-11-7-4-8-12-20(19)32-24(22)27-21(26-23)17-18-9-5-3-6-10-18/h3,5-6,9-10H,2,4,7-8,11-17H2,1H3

InChI Key

ZXSBDTPDFDXZKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19852679

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

450.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.303

Distribution Coefficient, logD

6.180

Water Solubility, LogSw

-5.63

Polar Surface Area

47.050

Acid Dissociation Constant (pKa)

22.62

Base Dissociation Constant (pKb)

6.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

V011-5322 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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 V011-5322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-5322?
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What is the minimum amount of V011-5322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-5322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-5322
  • 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 V011-5322 available by request