C860-0713 Screening compound: (4-benzylpiperidino)[1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-4-piperidyl]methanone

C860-0713 Screening compound: (4-benzylpiperidino)[1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-4-piperidyl]methanone
C860-0713 Screening compound: (4-benzylpiperidino)[1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-4-piperidyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C860-0713
(4-benzylpiperidino)[1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-4-piperidyl]methanone

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

C860-0713

Molecular Formula

C28H29FN4OS (C28 H29 FN4 OS)

Compound Name

(4-benzylpiperidino)[1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-4-piperidyl]methanone

IUPAC name

6-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-13-fluoro-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)35911-hexaene

SMILES

O=C(C(CC1)CCN1c(ncnc12)c1sc1c2c(F)ccc1)N1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C28H29FN4OS/c29-22-7-4-8-23-24(22)25-26(35-23)27(31-18-30-25)32-15-11-21(12-16-32)28(34)33-13-9-20(10-14-33)17-19-5-2-1-3-6-19/h1-8,18,20-21H,9-17H2

InChI Key

KTHLAHVGJOHGCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801617

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.63

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.433

Distribution Coefficient, logD

6.396

Water Solubility, LogSw

-6.29

Polar Surface Area

41.043

Acid Dissociation Constant (pKa)

21.64

Base Dissociation Constant (pKb)

6.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

C860-0713 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C860-0713 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C860-0713?
Check Price and Availability of C860-0713, 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 C860-0713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C860-0713
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C860-0713
  • 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 C860-0713 available by request