F145-0704 Screening compound: 7-(tert-butyl)-2-{3-[4-(2,5-dimethylphenyl)piperazino]-3-oxopropyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

F145-0704 Screening compound: 7-(tert-butyl)-2-{3-[4-(2,5-dimethylphenyl)piperazino]-3-oxopropyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
F145-0704 Screening compound: 7-(tert-butyl)-2-{3-[4-(2,5-dimethylphenyl)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 F145-0704
7-(tert-butyl)-2-{3-[4-(2,5-dimethylphenyl)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

F145-0704

Molecular Formula

C29H38N4O2S (C29 H38 N4 O2 S)

Compound Name

7-(tert-butyl)-2-{3-[4-(2,5-dimethylphenyl)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-(25-dimethylphenyl)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)CCN1c1c(C)ccc(C)c1)=O)=N1)=O)c1s2

InChI

InChI=1S/C29H38N4O2S/c1-18-6-7-19(2)22(16-18)32-12-14-33(15-13-32)25(34)11-10-24-30-27(35)26-21-9-8-20(29(3,4)5)17-23(21)36-28(26)31-24/h6-7,16,20H,8-15,17H2,1-5H3,(H,30,31,35)/t20-/m1/s1

InChI Key

DLTXUXBDQNUNDB-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14943104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.71

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

5.849

Distribution Coefficient, logD

5.849

Water Solubility, LogSw

-5.52

Polar Surface Area

54.075

Acid Dissociation Constant (pKa)

10.25

Base Dissociation Constant (pKb)

5.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.20

F145-0704 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 F145-0704 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F145-0704?
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What is the minimum amount of F145-0704 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F145-0704
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F145-0704
  • 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 F145-0704 available by request