5921-0070 Screening compound: 5-butyl-2,2-dimethyl-8-(4-methylpiperidino)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

5921-0070 Screening compound: 5-butyl-2,2-dimethyl-8-(4-methylpiperidino)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
5921-0070 Screening compound: 5-butyl-2,2-dimethyl-8-(4-methylpiperidino)-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 5921-0070
5-butyl-2,2-dimethyl-8-(4-methylpiperidino)-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

5921-0070

Molecular Formula

C24H32N4OS (C24 H32 N4 OS)

Compound Name

5-butyl-2,2-dimethyl-8-(4-methylpiperidino)-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-(4-methylpiperidin-1-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(N3CCC(C)CC3)c2s2)c2n1

InChI

InChI=1S/C24H32N4OS/c1-5-6-7-18-17-13-29-24(3,4)12-16(17)19-20-21(30-23(19)27-18)22(26-14-25-20)28-10-8-15(2)9-11-28/h14-15H,5-13H2,1-4H3

InChI Key

QBRMLSSPDFAJHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01877661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.978

Distribution Coefficient, logD

6.970

Water Solubility, LogSw

-5.99

Polar Surface Area

42.523

Acid Dissociation Constant (pKa)

21.86

Base Dissociation Constant (pKb)

5.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

5921-0070 in Drug Discovery

Included in Screening Libraries

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

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 5921-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5921-0070?
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What is the minimum amount of 5921-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5921-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5921-0070
  • 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 5921-0070 available by request