F081-1061 Screening compound: N-benzyl-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-methylamine

F081-1061 Screening compound: N-benzyl-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-methylamine
F081-1061 Screening compound: N-benzyl-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-methylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound F081-1061
N-benzyl-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-methylamine

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

F081-1061

Molecular Formula

C22H22N4OS (C22 H22 N4 OS)

Compound Name

N-benzyl-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-methylamine

IUPAC name

N-benzyl-N55-trimethyl-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(N(C)Cc4ccccc4)ncnc3c1c2

InChI

InChI=1S/C22H22N4OS/c1-22(2)10-17-15(12-27-22)9-16-18-19(28-21(16)25-17)20(24-13-23-18)26(3)11-14-7-5-4-6-8-14/h4-9,13H,10-12H2,1-3H3

InChI Key

KZEDXFXBIIHELN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05681996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.130

Distribution Coefficient, logD

5.076

Water Solubility, LogSw

-5.24

Polar Surface Area

42.260

Acid Dissociation Constant (pKa)

21.52

Base Dissociation Constant (pKb)

6.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

F081-1061 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with F081-1061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F081-1061?
Check Price and Availability of F081-1061, 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 F081-1061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F081-1061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F081-1061
  • 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 F081-1061 available by request