F463-0568 Screening compound: ethyl 1-{[1-(7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)-4-piperidyl]carbonyl}-4-piperidinecarboxylate

F463-0568 Screening compound: ethyl 1-{[1-(7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)-4-piperidyl]carbonyl}-4-piperidinecarboxylate
F463-0568 Screening compound: ethyl 1-{[1-(7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)-4-piperidyl]carbonyl}-4-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F463-0568
ethyl 1-{[1-(7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)-4-piperidyl]carbonyl}-4-piperidinecarboxylate

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

F463-0568

Molecular Formula

C25H31N5O3S (C25 H31 N5 O3 S)

Compound Name

ethyl 1-{[1-(7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)-4-piperidyl]carbonyl}-4-piperidinecarboxylate

IUPAC name

ethyl 1-(1-{1113-dimethyl-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)35911-hexaen-6-yl}piperidine-4-carbonyl)piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(C(CC1)CCN1c1c2sc3nc(C)cc(C)c3c2ncn1)=O)=O

InChI

InChI=1S/C25H31N5O3S/c1-4-33-25(32)18-7-11-30(12-8-18)24(31)17-5-9-29(10-6-17)22-21-20(26-14-27-22)19-15(2)13-16(3)28-23(19)34-21/h13-14,17-18H,4-12H2,1-3H3

InChI Key

DCYJCNSRLPAHOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14955376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.105

Distribution Coefficient, logD

4.059

Water Solubility, LogSw

-4.27

Polar Surface Area

70.848

Acid Dissociation Constant (pKa)

21.22

Base Dissociation Constant (pKb)

6.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.00

F463-0568 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F463-0568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F463-0568?
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What is the minimum amount of F463-0568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F463-0568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F463-0568
  • 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 F463-0568 available by request