F463-0517 Screening compound: 1-(7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)-N~4~-(4-methylbenzyl)-4-piperidinecarboxamide

F463-0517 Screening compound: 1-(7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)-N~4~-(4-methylbenzyl)-4-piperidinecarboxamide
F463-0517 Screening compound: 1-(7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)-N~4~-(4-methylbenzyl)-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F463-0517
1-(7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)-N~4~-(4-methylbenzyl)-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

F463-0517

Molecular Formula

C25H27N5OS (C25 H27 N5 OS)

Compound Name

1-(7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)-N~4~-(4-methylbenzyl)-4-piperidinecarboxamide

IUPAC name

1-{1113-dimethyl-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)35911-hexaen-6-yl}-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

SMILES

Cc1ccc(CNC(C(CC2)CCN2c2c3sc4nc(C)cc(C)c4c3ncn2)=O)cc1

InChI

InChI=1S/C25H27N5OS/c1-15-4-6-18(7-5-15)13-26-24(31)19-8-10-30(11-9-19)23-22-21(27-14-28-23)20-16(2)12-17(3)29-25(20)32-22/h4-7,12,14,19H,8-11,13H2,1-3H3,(H,26,31)

InChI Key

WACAPEQAAPOASF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14955362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.703

Distribution Coefficient, logD

4.656

Water Solubility, LogSw

-4.55

Polar Surface Area

57.859

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

6.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

F463-0517 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 F463-0517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F463-0517?
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What is the minimum amount of F463-0517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F463-0517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F463-0517
  • 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 F463-0517 available by request