C860-1008 Screening compound: 1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-N~3~-(4-methoxybenzyl)-3-piperidinecarboxamide

C860-1008 Screening compound: 1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-N~3~-(4-methoxybenzyl)-3-piperidinecarboxamide
C860-1008 Screening compound: 1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-N~3~-(4-methoxybenzyl)-3-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C860-1008
1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-N~3~-(4-methoxybenzyl)-3-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

C860-1008

Molecular Formula

C24H23FN4O2S (C24 H23 FN4 O2 S)

Compound Name

1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-N~3~-(4-methoxybenzyl)-3-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-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide

SMILES

COc1ccc(CNC(C(CCC2)CN2c(ncnc23)c2sc2c3c(F)ccc2)=O)cc1

InChI

InChI=1S/C24H23FN4O2S/c1-31-17-9-7-15(8-10-17)12-26-24(30)16-4-3-11-29(13-16)23-22-21(27-14-28-23)20-18(25)5-2-6-19(20)32-22/h2,5-10,14,16H,3-4,11-13H2,1H3,(H,26,30)/t16-/m0/s1

InChI Key

LKLZDLCVUVEBDR-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14801704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.377

Distribution Coefficient, logD

4.340

Water Solubility, LogSw

-4.40

Polar Surface Area

56.557

Acid Dissociation Constant (pKa)

13.36

Base Dissociation Constant (pKb)

6.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

C860-1008 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C860-1008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C860-1008?
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What is the minimum amount of C860-1008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C860-1008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C860-1008
  • 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 C860-1008 available by request