8640-0583 Screening compound: N-(2,2-dimethyl-5-phenyl-2,3-dihydro-1H-pyrano[3'',2'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)-N,N-diethylamine

8640-0583 Screening compound: N-(2,2-dimethyl-5-phenyl-2,3-dihydro-1H-pyrano[3'',2'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)-N,N-diethylamine
8640-0583 Screening compound: N-(2,2-dimethyl-5-phenyl-2,3-dihydro-1H-pyrano[3'',2'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)-N,N-diethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0583
N-(2,2-dimethyl-5-phenyl-2,3-dihydro-1H-pyrano[3'',2'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)-N,N-diethylamine

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

8640-0583

Molecular Formula

C24H26N4OS (C24 H26 N4 OS)

Compound Name

N-(2,2-dimethyl-5-phenyl-2,3-dihydro-1H-pyrano[3'',2'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)-N,N-diethylamine

IUPAC name

NN-diethyl-44-dimethyl-8-phenyl-6-oxa-11-thia-91416-triazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-1(10)2(7)812(17)1315-hexaen-13-amine

SMILES

CCN(CC)c1c2sc3nc(-c4ccccc4)c4OCC(C)(C)Cc4c3c2ncn1

InChI

InChI=1S/C24H26N4OS/c1-5-28(6-2)22-21-19(25-14-26-22)17-16-12-24(3,4)13-29-20(16)18(27-23(17)30-21)15-10-8-7-9-11-15/h7-11,14H,5-6,12-13H2,1-4H3

InChI Key

VJFGGWOKLQTXAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01563280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.030

Distribution Coefficient, logD

6.026

Water Solubility, LogSw

-6.04

Polar Surface Area

41.477

Acid Dissociation Constant (pKa)

23.09

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

8640-0583 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8640-0583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0583?
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What is the minimum amount of 8640-0583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0583
  • 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 8640-0583 available by request