5921-0064 Screening compound: N-(5-isobutyl-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-isopentylamine

5921-0064 Screening compound: N-(5-isobutyl-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-isopentylamine
5921-0064 Screening compound: N-(5-isobutyl-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-isopentylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5921-0064
N-(5-isobutyl-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-isopentylamine

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

5921-0064

Molecular Formula

C23H32N4OS (C23 H32 N4 OS)

Compound Name

N-(5-isobutyl-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-isopentylamine

IUPAC name

44-dimethyl-N-(3-methylbutyl)-8-(2-methylpropyl)-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

CC(C)CCNc1c2sc3nc(CC(C)C)c(COC(C)(C)C4)c4c3c2ncn1

InChI

InChI=1S/C23H32N4OS/c1-13(2)7-8-24-21-20-19(25-12-26-21)18-15-10-23(5,6)28-11-16(15)17(9-14(3)4)27-22(18)29-20/h12-14H,7-11H2,1-6H3,(H,24,25,26)

InChI Key

XWPCRYUAGZERPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01878746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.695

Distribution Coefficient, logD

6.693

Water Solubility, LogSw

-6.08

Polar Surface Area

50.125

Acid Dissociation Constant (pKa)

17.89

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.90

5921-0064 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Akt-Targeted Library (14764 compounds)

Ion Channels Focused Library (26372 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Kinases
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5921-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5921-0064?
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What is the minimum amount of 5921-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5921-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5921-0064
  • 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 5921-0064 available by request