F463-0047 Screening compound: N~4~-[(5-methyl-2-furyl)methyl]-1-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl-4-piperidinecarboxamide

F463-0047 Screening compound: N~4~-[(5-methyl-2-furyl)methyl]-1-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl-4-piperidinecarboxamide
F463-0047 Screening compound: N~4~-[(5-methyl-2-furyl)methyl]-1-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F463-0047
N~4~-[(5-methyl-2-furyl)methyl]-1-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl-4-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

F463-0047

Molecular Formula

C21H21N5O2S (C21 H21 N5 O2 S)

Compound Name

N~4~-[(5-methyl-2-furyl)methyl]-1-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl-4-piperidinecarboxamide

IUPAC name

N-[(5-methylfuran-2-yl)methyl]-1-{8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)35911-hexaen-6-yl}piperidine-4-carboxamide

SMILES

Cc1ccc(CNC(C(CC2)CCN2c2c3sc4ncccc4c3ncn2)=O)o1

InChI

InChI=1S/C21H21N5O2S/c1-13-4-5-15(28-13)11-23-20(27)14-6-9-26(10-7-14)19-18-17(24-12-25-19)16-3-2-8-22-21(16)29-18/h2-5,8,12,14H,6-7,9-11H2,1H3,(H,23,27)

InChI Key

RJMQIPDGJYJKOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14955332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.525

Distribution Coefficient, logD

3.494

Water Solubility, LogSw

-3.51

Polar Surface Area

65.748

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

6.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F463-0047 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with F463-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F463-0047?
Check Price and Availability of F463-0047, 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 F463-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F463-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F463-0047
  • 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 F463-0047 available by request