F081-1421 Screening compound: 2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4-yl)sulfanyl]-1-(1-pyrrolidinyl)-1-ethanone

F081-1421 Screening compound: 2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4-yl)sulfanyl]-1-(1-pyrrolidinyl)-1-ethanone
F081-1421 Screening compound: 2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4-yl)sulfanyl]-1-(1-pyrrolidinyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound F081-1421
2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4-yl)sulfanyl]-1-(1-pyrrolidinyl)-1-ethanone

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

F081-1421

Molecular Formula

C20H22N4O3S (C20 H22 N4 O3 S)

Compound Name

2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4-yl)sulfanyl]-1-(1-pyrrolidinyl)-1-ethanone

IUPAC name

2-({55-dimethyl-617-dioxa-21214-triazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-13(8)911(16)1214-hexaen-15-yl}sulfanyl)-1-(pyrrolidin-1-yl)ethan-1-one

SMILES

CC(C)(Cc1n2)OCc1cc1c2oc2c1ncnc2SCC(N1CCCC1)=O

InChI

InChI=1S/C20H22N4O3S/c1-20(2)8-14-12(9-26-20)7-13-16-17(27-18(13)23-14)19(22-11-21-16)28-10-15(25)24-5-3-4-6-24/h7,11H,3-6,8-10H2,1-2H3

InChI Key

BZYYXCGRGCTBAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06595796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.896

Distribution Coefficient, logD

2.895

Water Solubility, LogSw

-2.97

Polar Surface Area

63.479

Acid Dissociation Constant (pKa)

19.77

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

F081-1421 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with F081-1421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F081-1421?
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What is the minimum amount of F081-1421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F081-1421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F081-1421
  • 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 F081-1421 available by request