C860-0806 Screening compound: 1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-N~4~-phenethyl-4-piperidinecarboxamide

C860-0806 Screening compound: 1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-N~4~-phenethyl-4-piperidinecarboxamide
C860-0806 Screening compound: 1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-N~4~-phenethyl-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C860-0806
1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-N~4~-phenethyl-4-piperidinecarboxamide

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

C860-0806

Molecular Formula

C24H23FN4OS (C24 H23 FN4 OS)

Compound Name

1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-N~4~-phenethyl-4-piperidinecarboxamide

IUPAC name

1-{13-fluoro-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)35911-hexaen-6-yl}-N-(2-phenylethyl)piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1c(ncnc12)c1sc1c2c(F)ccc1)NCCc1ccccc1

InChI

InChI=1S/C24H23FN4OS/c25-18-7-4-8-19-20(18)21-22(31-19)23(28-15-27-21)29-13-10-17(11-14-29)24(30)26-12-9-16-5-2-1-3-6-16/h1-8,15,17H,9-14H2,(H,26,30)

InChI Key

IZVDOUYWCIAHLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.723

Distribution Coefficient, logD

4.686

Water Solubility, LogSw

-4.88

Polar Surface Area

48.921

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

6.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with C860-0806 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C860-0806?
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What is the minimum amount of C860-0806 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C860-0806
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C860-0806
  • 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 C860-0806 available by request