K018-0086 Screening compound: 3-{[(E)-1-(2-chloro-6-fluorophenyl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

K018-0086 Screening compound: 3-{[(E)-1-(2-chloro-6-fluorophenyl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
K018-0086 Screening compound: 3-{[(E)-1-(2-chloro-6-fluorophenyl)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 K018-0086
3-{[(E)-1-(2-chloro-6-fluorophenyl)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

K018-0086

Molecular Formula

C17H13ClFN3OS (C17 H13 ClFN3 OS)

Compound Name

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

IUPAC name

4-[(E)-[(2-chloro-6-fluorophenyl)methylidene]amino]-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

O=C(c1c(N=C2)sc3c1CCCC3)N2/N=C/c(c(F)ccc1)c1Cl

InChI

InChI=1S/C17H13ClFN3OS/c18-12-5-3-6-13(19)11(12)8-21-22-9-20-16-15(17(22)23)10-4-1-2-7-14(10)24-16/h3,5-6,8-9H,1-2,4,7H2

InChI Key

DMAOXUJKQGUGGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01248362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.83

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.933

Distribution Coefficient, logD

3.933

Water Solubility, LogSw

-4.61

Polar Surface Area

36.037

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

4.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with K018-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K018-0086?
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What is the minimum amount of K018-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K018-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K018-0086
  • 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 K018-0086 available by request