K698-0432 Screening compound: N~1~-cyclohexyl-2-[2-(3-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide

K698-0432 Screening compound: N~1~-cyclohexyl-2-[2-(3-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
K698-0432 Screening compound: N~1~-cyclohexyl-2-[2-(3-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K698-0432
N~1~-cyclohexyl-2-[2-(3-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide

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

K698-0432

Molecular Formula

C25H29N3O3S (C25 H29 N3 O3 S)

Compound Name

N~1~-cyclohexyl-2-[2-(3-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide

IUPAC name

N-cyclohexyl-2-[5-(3-methoxyphenyl)-3-oxo-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-4-yl]acetamide

SMILES

COc1cccc(C(N2CC(NC3CCCCC3)=O)=Nc(sc3c4CCCC3)c4C2=O)c1

InChI

InChI=1S/C25H29N3O3S/c1-31-18-11-7-8-16(14-18)23-27-24-22(19-12-5-6-13-20(19)32-24)25(30)28(23)15-21(29)26-17-9-3-2-4-10-17/h7-8,11,14,17H,2-6,9-10,12-13,15H2,1H3,(H,26,29)

InChI Key

QPIBOFLKDXITPU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.794

Distribution Coefficient, logD

4.794

Water Solubility, LogSw

-4.61

Polar Surface Area

56.913

Acid Dissociation Constant (pKa)

15.95

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

References: we are preparing a list of scientific research reports with K698-0432 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K698-0432?
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What is the minimum amount of K698-0432 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K698-0432
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K698-0432
  • 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 K698-0432 available by request