F145-0581 Screening compound: 2-{3-[4-(2,5-dimethylphenyl)piperazino]-3-oxopropyl}-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one

F145-0581 Screening compound: 2-{3-[4-(2,5-dimethylphenyl)piperazino]-3-oxopropyl}-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
F145-0581 Screening compound: 2-{3-[4-(2,5-dimethylphenyl)piperazino]-3-oxopropyl}-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F145-0581
2-{3-[4-(2,5-dimethylphenyl)piperazino]-3-oxopropyl}-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one

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

F145-0581

Molecular Formula

C26H32N4O2S (C26 H32 N4 O2 S)

Compound Name

2-{3-[4-(2,5-dimethylphenyl)piperazino]-3-oxopropyl}-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one

IUPAC name

5-{3-[4-(25-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-8-thia-46-diazatricyclo[7.5.0.0^{27}]tetradeca-1(9)2(7)5-trien-3-one

SMILES

Cc1cc(N(CC2)CCN2C(CCC(N2)=Nc(sc3c4CCCCC3)c4C2=O)=O)c(C)cc1

InChI

InChI=1S/C26H32N4O2S/c1-17-8-9-18(2)20(16-17)29-12-14-30(15-13-29)23(31)11-10-22-27-25(32)24-19-6-4-3-5-7-21(19)33-26(24)28-22/h8-9,16H,3-7,10-15H2,1-2H3,(H,27,28,32)

InChI Key

GFBXLNNCVKZZQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27104751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.788

Distribution Coefficient, logD

4.787

Water Solubility, LogSw

-4.64

Polar Surface Area

54.406

Acid Dissociation Constant (pKa)

10.25

Base Dissociation Constant (pKb)

5.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

F145-0581 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 F145-0581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F145-0581?
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What is the minimum amount of F145-0581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F145-0581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F145-0581
  • 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 F145-0581 available by request