4127-0016 Screening compound: N-(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)-N-isobutylamine

4127-0016 Screening compound: N-(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)-N-isobutylamine
4127-0016 Screening compound: N-(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)-N-isobutylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4127-0016
N-(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)-N-isobutylamine

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

4127-0016

Molecular Formula

C18H22N4OS (C18 H22 N4 OS)

Compound Name

N-(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)-N-isobutylamine

IUPAC name

55-dimethyl-N-(2-methylpropyl)-6-oxa-17-thia-21214-triazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-13(8)911(16)1214-hexaen-15-amine

SMILES

CC(C)CNc1c2sc3nc(CC(C)(C)OC4)c4cc3c2ncn1

InChI

InChI=1S/C18H22N4OS/c1-10(2)7-19-16-15-14(20-9-21-16)12-5-11-8-23-18(3,4)6-13(11)22-17(12)24-15/h5,9-10H,6-8H2,1-4H3,(H,19,20,21)

InChI Key

IZLHYAQTDUKBEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01946392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.369

Distribution Coefficient, logD

4.360

Water Solubility, LogSw

-4.27

Polar Surface Area

50.518

Acid Dissociation Constant (pKa)

19.44

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

4127-0016 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4127-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4127-0016?
Check Price and Availability of 4127-0016, 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 4127-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4127-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4127-0016
  • 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 4127-0016 available by request