F081-1071 Screening compound: N~1~-phenyl-2-[(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)sulfanyl]propanamide

F081-1071 Screening compound: N~1~-phenyl-2-[(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)sulfanyl]propanamide
F081-1071 Screening compound: N~1~-phenyl-2-[(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)sulfanyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F081-1071
N~1~-phenyl-2-[(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)sulfanyl]propanamide

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

F081-1071

Molecular Formula

C24H24N4O2S2 (C24 H24 N4 O2 S2)

Compound Name

N~1~-phenyl-2-[(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)sulfanyl]propanamide

IUPAC name

N-phenyl-2-({5513-trimethyl-6-oxa-17-thia-21214-triazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-13(8)911(16)1214-hexaen-15-yl}sulfanyl)propanamide

SMILES

CC(C(Nc1ccccc1)=O)Sc1c2sc3nc(CC(C)(C)OC4)c4cc3c2nc(C)n1

InChI

InChI=1S/C24H24N4O2S2/c1-13(21(29)27-16-8-6-5-7-9-16)31-23-20-19(25-14(2)26-23)17-10-15-12-30-24(3,4)11-18(15)28-22(17)32-20/h5-10,13H,11-12H2,1-4H3,(H,27,29)/t13-/m0/s1

InChI Key

NJRJYJVCEGFIEV-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD05682511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.253

Distribution Coefficient, logD

5.253

Water Solubility, LogSw

-5.10

Polar Surface Area

60.969

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

F081-1071 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with F081-1071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F081-1071?
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What is the minimum amount of F081-1071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F081-1071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F081-1071
  • 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 F081-1071 available by request