F081-1147 Screening compound: 2-[benzyl(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)amino]-1-ethanol

F081-1147 Screening compound: 2-[benzyl(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)amino]-1-ethanol
F081-1147 Screening compound: 2-[benzyl(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)amino]-1-ethanol alternative view

Chemical Structure Depiction of ChemDiv screening compound F081-1147
2-[benzyl(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)amino]-1-ethanol

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

F081-1147

Molecular Formula

C23H24N4O2S (C23 H24 N4 O2 S)

Compound Name

2-[benzyl(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)amino]-1-ethanol

IUPAC name

2-[benzyl({55-dimethyl-6-oxa-17-thia-21214-triazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-13(8)911(16)1214-hexaen-15-yl})amino]ethan-1-ol

SMILES

CC(C)(C1)OCc2c1nc1sc3c(N(CCO)Cc4ccccc4)ncnc3c1c2

InChI

InChI=1S/C23H24N4O2S/c1-23(2)11-18-16(13-29-23)10-17-19-20(30-22(17)26-18)21(25-14-24-19)27(8-9-28)12-15-6-4-3-5-7-15/h3-7,10,14,28H,8-9,11-13H2,1-2H3

InChI Key

PNQOYPVHNSXSKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04197039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.415

Distribution Coefficient, logD

4.376

Water Solubility, LogSw

-4.39

Polar Surface Area

58.955

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

6.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

F081-1147 in Drug Discovery

Included in Screening Libraries

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

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 F081-1147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F081-1147?
Check Price and Availability of F081-1147, 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 F081-1147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F081-1147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F081-1147
  • 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 F081-1147 available by request