K018-0022 Screening compound: 3-{[(E)-1-(1-methyl-1H-indol-3-yl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

K018-0022 Screening compound: 3-{[(E)-1-(1-methyl-1H-indol-3-yl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
K018-0022 Screening compound: 3-{[(E)-1-(1-methyl-1H-indol-3-yl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K018-0022
3-{[(E)-1-(1-methyl-1H-indol-3-yl)methylidene]amino}-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

K018-0022

Molecular Formula

C20H18N4OS (C20 H18 N4 OS)

Compound Name

3-{[(E)-1-(1-methyl-1H-indol-3-yl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

4-[(E)-[(1-methyl-1H-indol-3-yl)methylidene]amino]-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

Cn1c(cccc2)c2c(/C=N/N(C=Nc2c3c(CCCC4)c4s2)C3=O)c1

InChI

InChI=1S/C20H18N4OS/c1-23-11-13(14-6-2-4-8-16(14)23)10-22-24-12-21-19-18(20(24)25)15-7-3-5-9-17(15)26-19/h2,4,6,8,10-12H,3,5,7,9H2,1H3

InChI Key

JDAHHJSINQSHNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01248312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.651

Distribution Coefficient, logD

3.625

Water Solubility, LogSw

-4.12

Polar Surface Area

38.596

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

6.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

K018-0022 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K018-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K018-0022?
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What is the minimum amount of K018-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K018-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K018-0022
  • 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 K018-0022 available by request