5504-0200 Screening compound: 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 heptyl sulfide

5504-0200 Screening compound: 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 heptyl sulfide
5504-0200 Screening compound: 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 heptyl sulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5504-0200
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 heptyl sulfide

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

5504-0200

Molecular Formula

C25H34N4O2S2 (C25 H34 N4 O2 S2)

Compound Name

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 heptyl sulfide

IUPAC name

13-(heptylsulfanyl)-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-hexaene

SMILES

CCCCCCCSc1c2sc3nc(N4CCOCC4)c(COC(C)(C)C4)c4c3c2ncn1

InChI

InChI=1S/C25H34N4O2S2/c1-4-5-6-7-8-13-32-24-21-20(26-16-27-24)19-17-14-25(2,3)31-15-18(17)22(28-23(19)33-21)29-9-11-30-12-10-29/h16H,4-15H2,1-3H3

InChI Key

QUVUCDJPQYSWCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02237576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.7

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.433

Distribution Coefficient, logD

7.433

Water Solubility, LogSw

-6.08

Polar Surface Area

49.297

Acid Dissociation Constant (pKa)

22.06

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.00

5504-0200 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5504-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5504-0200?
Check Price and Availability of 5504-0200, 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 5504-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5504-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5504-0200
  • 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 5504-0200 available by request