8640-0590 Screening compound: N-butyl-N-(2,2-dimethyl-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)-N-ethylamine

8640-0590 Screening compound: N-butyl-N-(2,2-dimethyl-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)-N-ethylamine
8640-0590 Screening compound: N-butyl-N-(2,2-dimethyl-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)-N-ethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0590
N-butyl-N-(2,2-dimethyl-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)-N-ethylamine

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

8640-0590

Molecular Formula

C26H30N4OS (C26 H30 N4 OS)

Compound Name

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

IUPAC name

N-butyl-N-ethyl-44-dimethyl-8-phenyl-5-oxa-11-thia-91416-triazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-1(10)2(7)812(17)1315-hexaen-13-amine

SMILES

CCCCN(CC)c1c2sc3nc(-c4ccccc4)c(COC(C)(C)C4)c4c3c2ncn1

InChI

InChI=1S/C26H30N4OS/c1-5-7-13-30(6-2)24-23-22(27-16-28-24)20-18-14-26(3,4)31-15-19(18)21(29-25(20)32-23)17-11-9-8-10-12-17/h8-12,16H,5-7,13-15H2,1-4H3

InChI Key

QWHXOLGXBSLBRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01879936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.62

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.023

Distribution Coefficient, logD

7.021

Water Solubility, LogSw

-6.10

Polar Surface Area

41.294

Acid Dissociation Constant (pKa)

20.29

Base Dissociation Constant (pKb)

5.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

8640-0590 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 8640-0590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0590?
Check Price and Availability of 8640-0590, 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 8640-0590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0590
  • 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 8640-0590 available by request