F463-0077 Screening compound: (4-benzylpiperazino)(1-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl-4-piperidyl)methanone

F463-0077 Screening compound: (4-benzylpiperazino)(1-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl-4-piperidyl)methanone
F463-0077 Screening compound: (4-benzylpiperazino)(1-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl-4-piperidyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound F463-0077
(4-benzylpiperazino)(1-pyrido[3',2':4,5]thieno[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

F463-0077

Molecular Formula

C26H28N6OS (C26 H28 N6 OS)

Compound Name

(4-benzylpiperazino)(1-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl-4-piperidyl)methanone

IUPAC name

6-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)35911-hexaene

SMILES

O=C(C(CC1)CCN1c1c2sc3ncccc3c2ncn1)N1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C26H28N6OS/c33-26(32-15-13-30(14-16-32)17-19-5-2-1-3-6-19)20-8-11-31(12-9-20)24-23-22(28-18-29-24)21-7-4-10-27-25(21)34-23/h1-7,10,18,20H,8-9,11-17H2

InChI Key

KFBIVINNHAPDTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11996024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.697

Distribution Coefficient, logD

3.646

Water Solubility, LogSw

-4.09

Polar Surface Area

54.260

Acid Dissociation Constant (pKa)

21.22

Base Dissociation Constant (pKb)

6.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

F463-0077 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Immunological Library (6760 compounds)

Anti-HIV1 Library (19540 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F463-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F463-0077?
Check Price and Availability of F463-0077, 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 F463-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F463-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F463-0077
  • 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 F463-0077 available by request