8640-0589 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-methylamine

8640-0589 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-methylamine
8640-0589 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-methylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0589
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-methylamine

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

8640-0589

Molecular Formula

C25H28N4OS (C25 H28 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-methylamine

IUPAC name

N-butyl-N44-trimethyl-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(C)c1c2sc3nc(-c4ccccc4)c(COC(C)(C)C4)c4c3c2ncn1

InChI

InChI=1S/C25H28N4OS/c1-5-6-12-29(4)23-22-21(26-15-27-23)19-17-13-25(2,3)30-14-18(17)20(28-24(19)31-22)16-10-8-7-9-11-16/h7-11,15H,5-6,12-14H2,1-4H3

InChI Key

WTWBXCZHBDEENG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01875073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.283

Distribution Coefficient, logD

6.279

Water Solubility, LogSw

-5.93

Polar Surface Area

41.508

Acid Dissociation Constant (pKa)

20.29

Base Dissociation Constant (pKb)

5.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 8640-0589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0589?
Check Price and Availability of 8640-0589, 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 8640-0589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0589
  • 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 8640-0589 available by request