C860-1066 Screening compound: N~3~-[2-(1-cyclohexenyl)ethyl]-1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-3-piperidinecarboxamide

C860-1066 Screening compound: N~3~-[2-(1-cyclohexenyl)ethyl]-1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-3-piperidinecarboxamide
C860-1066 Screening compound: N~3~-[2-(1-cyclohexenyl)ethyl]-1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-3-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C860-1066
N~3~-[2-(1-cyclohexenyl)ethyl]-1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-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

C860-1066

Molecular Formula

C24H27FN4OS (C24 H27 FN4 OS)

Compound Name

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

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-1-{13-fluoro-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)35911-hexaen-6-yl}piperidine-3-carboxamide

SMILES

O=C(C(CCC1)CN1c(ncnc12)c1sc1c2c(F)ccc1)NCCC1=CCCCC1

InChI

InChI=1S/C24H27FN4OS/c25-18-9-4-10-19-20(18)21-22(31-19)23(28-15-27-21)29-13-5-8-17(14-29)24(30)26-12-11-16-6-2-1-3-7-16/h4,6,9-10,15,17H,1-3,5,7-8,11-14H2,(H,26,30)/t17-/m0/s1

InChI Key

KQUZWZYRQRUNND-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14801716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.57

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

4.938

Distribution Coefficient, logD

4.902

Water Solubility, LogSw

-5.00

Polar Surface Area

49.046

Acid Dissociation Constant (pKa)

14.40

Base Dissociation Constant (pKb)

6.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

C860-1066 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C860-1066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C860-1066?
Check Price and Availability of C860-1066, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C860-1066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C860-1066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C860-1066
  • 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 C860-1066 available by request