C860-0937 Screening compound: (4-benzylpiperazino)[1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-3-piperidyl]methanone

C860-0937 Screening compound: (4-benzylpiperazino)[1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-3-piperidyl]methanone
C860-0937 Screening compound: (4-benzylpiperazino)[1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-3-piperidyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C860-0937
(4-benzylpiperazino)[1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-3-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

C860-0937

Molecular Formula

C27H28FN5OS (C27 H28 FN5 OS)

Compound Name

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

IUPAC name

6-[3-(4-benzylpiperazine-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(CCC1)CN1c(ncnc12)c1sc1c2c(F)ccc1)N1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C27H28FN5OS/c28-21-9-4-10-22-23(21)24-25(35-22)26(30-18-29-24)33-11-5-8-20(17-33)27(34)32-14-12-31(13-15-32)16-19-6-2-1-3-7-19/h1-4,6-7,9-10,18,20H,5,8,11-17H2/t20-/m0/s1

InChI Key

IPFDDRBGQRBWES-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14801694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.570

Distribution Coefficient, logD

4.518

Water Solubility, LogSw

-4.57

Polar Surface Area

44.788

Acid Dissociation Constant (pKa)

22.63

Base Dissociation Constant (pKb)

6.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

C860-0937 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C860-0937 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C860-0937?
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What is the minimum amount of C860-0937 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C860-0937
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C860-0937
  • 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 C860-0937 available by request