F145-0705 Screening compound: 7-(tert-butyl)-2-{3-[4-(2-fluorophenyl)piperazino]-3-oxopropyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

F145-0705 Screening compound: 7-(tert-butyl)-2-{3-[4-(2-fluorophenyl)piperazino]-3-oxopropyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
F145-0705 Screening compound: 7-(tert-butyl)-2-{3-[4-(2-fluorophenyl)piperazino]-3-oxopropyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F145-0705
7-(tert-butyl)-2-{3-[4-(2-fluorophenyl)piperazino]-3-oxopropyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-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

F145-0705

Molecular Formula

C27H33FN4O2S (C27 H33 FN4 O2 S)

Compound Name

7-(tert-butyl)-2-{3-[4-(2-fluorophenyl)piperazino]-3-oxopropyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

11-tert-butyl-5-{3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(NC(CCC(N(CC1)CCN1c(cccc1)c1F)=O)=N1)=O)c1s2

InChI

InChI=1S/C27H33FN4O2S/c1-27(2,3)17-8-9-18-21(16-17)35-26-24(18)25(34)29-22(30-26)10-11-23(33)32-14-12-31(13-15-32)20-7-5-4-6-19(20)28/h4-7,17H,8-16H2,1-3H3,(H,29,30,34)/t17-/m1/s1

InChI Key

AKLUZGIWWDBSAK-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD27104774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.870

Distribution Coefficient, logD

4.869

Water Solubility, LogSw

-4.61

Polar Surface Area

54.075

Acid Dissociation Constant (pKa)

10.25

Base Dissociation Constant (pKb)

4.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

51.90

F145-0705 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F145-0705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F145-0705?
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What is the minimum amount of F145-0705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F145-0705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F145-0705
  • 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 F145-0705 available by request