4149-0341 Screening compound: N-butyl-N-(2,2-dimethyl-5-morpholino-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)-N-ethylamine

4149-0341 Screening compound: N-butyl-N-(2,2-dimethyl-5-morpholino-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)-N-ethylamine
4149-0341 Screening compound: N-butyl-N-(2,2-dimethyl-5-morpholino-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 4149-0341
N-butyl-N-(2,2-dimethyl-5-morpholino-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

4149-0341

Molecular Formula

C24H33N5O2S (C24 H33 N5 O2 S)

Compound Name

N-butyl-N-(2,2-dimethyl-5-morpholino-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-(morpholin-4-yl)-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(N4CCOCC4)c(COC(C)(C)C4)c4c3c2ncn1

InChI

InChI=1S/C24H33N5O2S/c1-5-7-8-28(6-2)22-20-19(25-15-26-22)18-16-13-24(3,4)31-14-17(16)21(27-23(18)32-20)29-9-11-30-12-10-29/h15H,5-14H2,1-4H3

InChI Key

PXUOPWDAMDUFLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01956384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.810

Distribution Coefficient, logD

5.783

Water Solubility, LogSw

-5.59

Polar Surface Area

52.089

Acid Dissociation Constant (pKa)

21.65

Base Dissociation Constant (pKb)

6.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

4149-0341 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 4149-0341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4149-0341?
Check Price and Availability of 4149-0341, 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 4149-0341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4149-0341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4149-0341
  • 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 4149-0341 available by request