5921-0072 Screening compound: N-butyl-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)amine

5921-0072 Screening compound: N-butyl-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)amine
5921-0072 Screening compound: N-butyl-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)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5921-0072
N-butyl-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)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

5921-0072

Molecular Formula

C22H30N4OS (C22 H30 N4 OS)

Compound Name

N-butyl-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)amine

IUPAC name

N8-dibutyl-44-dimethyl-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(NCCCC)c2s2)c2n1

InChI

InChI=1S/C22H30N4OS/c1-5-7-9-16-15-12-27-22(3,4)11-14(15)17-18-19(28-21(17)26-16)20(25-13-24-18)23-10-8-6-2/h13H,5-12H2,1-4H3,(H,23,24,25)

InChI Key

AYMNFSWYQSASRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01878205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.760

Distribution Coefficient, logD

6.758

Water Solubility, LogSw

-5.99

Polar Surface Area

50.125

Acid Dissociation Constant (pKa)

18.55

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.10

5921-0072 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Akt-Targeted Library (14764 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
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5921-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5921-0072?
Check Price and Availability of 5921-0072, 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 5921-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5921-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5921-0072
  • 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 5921-0072 available by request