5921-0050 Screening compound: N-butyl-N-(5-ethyl-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-methylamine

5921-0050 Screening compound: N-butyl-N-(5-ethyl-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-methylamine
5921-0050 Screening compound: N-butyl-N-(5-ethyl-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-methylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5921-0050
N-butyl-N-(5-ethyl-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-methylamine

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

5921-0050

Molecular Formula

C21H28N4OS (C21 H28 N4 OS)

Compound Name

N-butyl-N-(5-ethyl-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-methylamine

IUPAC name

N-butyl-8-ethyl-N44-trimethyl-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

CCCCN(C)c1c2sc3nc(CC)c(COC(C)(C)C4)c4c3c2ncn1

InChI

InChI=1S/C21H28N4OS/c1-6-8-9-25(5)19-18-17(22-12-23-19)16-13-10-21(3,4)26-11-14(13)15(7-2)24-20(16)27-18/h12H,6-11H2,1-5H3

InChI Key

MMTVIFURRBFJBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01874936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.436

Distribution Coefficient, logD

5.425

Water Solubility, LogSw

-5.33

Polar Surface Area

42.275

Acid Dissociation Constant (pKa)

21.86

Base Dissociation Constant (pKb)

5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

5921-0050 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5921-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5921-0050?
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What is the minimum amount of 5921-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5921-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5921-0050
  • 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 5921-0050 available by request