K840-0021 Screening compound: 3-{2-[4-(4-fluorophenyl)piperazino]-2-oxoethyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

K840-0021 Screening compound: 3-{2-[4-(4-fluorophenyl)piperazino]-2-oxoethyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
K840-0021 Screening compound: 3-{2-[4-(4-fluorophenyl)piperazino]-2-oxoethyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K840-0021
3-{2-[4-(4-fluorophenyl)piperazino]-2-oxoethyl}-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

K840-0021

Molecular Formula

C22H23FN4O2S (C22 H23 FN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(C=Nc1c2c(CCCC3)c3s1)C2=O)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C22H23FN4O2S/c23-15-5-7-16(8-6-15)25-9-11-26(12-10-25)19(28)13-27-14-24-21-20(22(27)29)17-3-1-2-4-18(17)30-21/h5-8,14H,1-4,9-13H2

InChI Key

ZTOONMRCDKXEBF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.828

Distribution Coefficient, logD

2.828

Water Solubility, LogSw

-3.18

Polar Surface Area

45.815

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with K840-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K840-0021?
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What is the minimum amount of K840-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K840-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K840-0021
  • 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 K840-0021 available by request