5921-0068 Screening compound: 5-butyl-2,2-dimethyl-8-morpholino-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

5921-0068 Screening compound: 5-butyl-2,2-dimethyl-8-morpholino-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
5921-0068 Screening compound: 5-butyl-2,2-dimethyl-8-morpholino-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5921-0068
5-butyl-2,2-dimethyl-8-morpholino-1,4-dihydro-2H-pyrano[4'',3'':4',5']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

5921-0068

Molecular Formula

C22H28N4O2S (C22 H28 N4 O2 S)

Compound Name

5-butyl-2,2-dimethyl-8-morpholino-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

IUPAC name

8-butyl-44-dimethyl-13-(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

CCCCc1c(COC(C)(C)C2)c2c(c2ncnc(N3CCOCC3)c2s2)c2n1

InChI

InChI=1S/C22H28N4O2S/c1-4-5-6-16-15-12-28-22(2,3)11-14(15)17-18-19(29-21(17)25-16)20(24-13-23-18)26-7-9-27-10-8-26/h13H,4-12H2,1-3H3

InChI Key

REMQKUPKUCUPSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01878715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.489

Distribution Coefficient, logD

5.481

Water Solubility, LogSw

-5.55

Polar Surface Area

50.432

Acid Dissociation Constant (pKa)

21.86

Base Dissociation Constant (pKb)

5.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.10

5921-0068 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 5921-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5921-0068?
Check Price and Availability of 5921-0068, 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 5921-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5921-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5921-0068
  • 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 5921-0068 available by request