F081-1271 Screening compound: N-(3,4-dimethoxyphenethyl)-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)amine

F081-1271 Screening compound: N-(3,4-dimethoxyphenethyl)-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)amine
F081-1271 Screening compound: N-(3,4-dimethoxyphenethyl)-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)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound F081-1271
N-(3,4-dimethoxyphenethyl)-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)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

F081-1271

Molecular Formula

C24H26N4O3S (C24 H26 N4 O3 S)

Compound Name

N-(3,4-dimethoxyphenethyl)-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)amine

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-55-dimethyl-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)(C1)OCc2c1nc1sc3c(NCCc(cc4)cc(OC)c4OC)ncnc3c1c2

InChI

InChI=1S/C24H26N4O3S/c1-24(2)11-17-15(12-31-24)10-16-20-21(32-23(16)28-17)22(27-13-26-20)25-8-7-14-5-6-18(29-3)19(9-14)30-4/h5-6,9-10,13H,7-8,11-12H2,1-4H3,(H,25,26,27)

InChI Key

LASSSDVZLNJTJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04166520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.353

Distribution Coefficient, logD

4.344

Water Solubility, LogSw

-4.45

Polar Surface Area

65.349

Acid Dissociation Constant (pKa)

17.91

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

F081-1271 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F081-1271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F081-1271?
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What is the minimum amount of F081-1271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F081-1271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F081-1271
  • 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 F081-1271 available by request