6131-0058 Screening compound: N-isobutyl-N-(2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)amine

6131-0058 Screening compound: N-isobutyl-N-(2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)amine
6131-0058 Screening compound: N-isobutyl-N-(2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6131-0058
N-isobutyl-N-(2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-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

6131-0058

Molecular Formula

C19H24N4OS (C19 H24 N4 OS)

Compound Name

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

IUPAC name

5513-trimethyl-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)c4cc3c2nc(C)n1

InChI

InChI=1S/C19H24N4OS/c1-10(2)8-20-17-16-15(21-11(3)22-17)13-6-12-9-24-19(4,5)7-14(12)23-18(13)25-16/h6,10H,7-9H2,1-5H3,(H,20,21,22)

InChI Key

AXWZVXPWRURFGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02986361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.49

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

4.564

Distribution Coefficient, logD

4.303

Water Solubility, LogSw

-4.40

Polar Surface Area

48.893

Acid Dissociation Constant (pKa)

19.07

Base Dissociation Constant (pKb)

7.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

6131-0058 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 6131-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6131-0058?
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What is the minimum amount of 6131-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6131-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6131-0058
  • 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 6131-0058 available by request