5504-0187 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 isopropyl sulfide

5504-0187 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 isopropyl sulfide
5504-0187 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 isopropyl sulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5504-0187
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 isopropyl 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

5504-0187

Molecular Formula

C21H26N4O2S2 (C21 H26 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 isopropyl sulfide

IUPAC name

44-dimethyl-8-(morpholin-4-yl)-13-(propan-2-ylsulfanyl)-5-oxa-11-thia-91416-triazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-1(10)2(7)812(17)1315-hexaene

SMILES

CC(C)Sc1c2sc3nc(N4CCOCC4)c(COC(C)(C)C4)c4c3c2ncn1

InChI

InChI=1S/C21H26N4O2S2/c1-12(2)28-20-17-16(22-11-23-20)15-13-9-21(3,4)27-10-14(13)18(24-19(15)29-17)25-5-7-26-8-6-25/h11-12H,5-10H2,1-4H3

InChI Key

CRQAFZUIZYEWHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02234364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.147

Distribution Coefficient, logD

5.147

Water Solubility, LogSw

-5.18

Polar Surface Area

49.297

Acid Dissociation Constant (pKa)

22.06

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.14

5504-0187 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5504-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5504-0187?
Check Price and Availability of 5504-0187, 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 5504-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5504-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5504-0187
  • 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 5504-0187 available by request