5921-0071 Screening compound: N-(5-butyl-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)-N-(2-morpholinoethyl)amine

5921-0071 Screening compound: N-(5-butyl-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)-N-(2-morpholinoethyl)amine
5921-0071 Screening compound: N-(5-butyl-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)-N-(2-morpholinoethyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5921-0071
N-(5-butyl-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)-N-(2-morpholinoethyl)amine

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

5921-0071

Molecular Formula

C24H33N5O2S (C24 H33 N5 O2 S)

Compound Name

N-(5-butyl-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)-N-(2-morpholinoethyl)amine

IUPAC name

8-butyl-44-dimethyl-N-[2-(morpholin-4-yl)ethyl]-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

CCCCc1c(COC(C)(C)C2)c2c(c2ncnc(NCCN3CCOCC3)c2s2)c2n1

InChI

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

InChI Key

CVGYBYVAZWGVQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01877154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.020

Distribution Coefficient, logD

4.917

Water Solubility, LogSw

-4.74

Polar Surface Area

61.744

Acid Dissociation Constant (pKa)

17.49

Base Dissociation Constant (pKb)

6.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

5921-0071 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 5921-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5921-0071?
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What is the minimum amount of 5921-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5921-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5921-0071
  • 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 5921-0071 available by request