5043-0034 Screening compound: 8,8-dimethyl-4-(pentylsulfanyl)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

5043-0034 Screening compound: 8,8-dimethyl-4-(pentylsulfanyl)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
5043-0034 Screening compound: 8,8-dimethyl-4-(pentylsulfanyl)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5043-0034
8,8-dimethyl-4-(pentylsulfanyl)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

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

5043-0034

Molecular Formula

C19H23N3OS2 (C19 H23 N3 OS2)

Compound Name

8,8-dimethyl-4-(pentylsulfanyl)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

IUPAC name

55-dimethyl-15-(pentylsulfanyl)-6-oxa-17-thia-21214-triazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-13(8)911(16)1214-hexaene

SMILES

CCCCCSc1c2sc3nc(CC(C)(C)OC4)c4cc3c2ncn1

InChI

InChI=1S/C19H23N3OS2/c1-4-5-6-7-24-18-16-15(20-11-21-18)13-8-12-10-23-19(2,3)9-14(12)22-17(13)25-16/h8,11H,4-7,9-10H2,1-3H3

InChI Key

WCKUNBAJJIEAGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02996922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.911

Distribution Coefficient, logD

5.906

Water Solubility, LogSw

-5.36

Polar Surface Area

39.504

Acid Dissociation Constant (pKa)

22.06

Base Dissociation Constant (pKb)

5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

5043-0034 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5043-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5043-0034?
Check Price and Availability of 5043-0034, 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 5043-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5043-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5043-0034
  • 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 5043-0034 available by request