F399-0770 Screening compound: 3-butyl-2-{[(3,5-dimethyl-4-isoxazolyl)methyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

F399-0770 Screening compound: 3-butyl-2-{[(3,5-dimethyl-4-isoxazolyl)methyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
F399-0770 Screening compound: 3-butyl-2-{[(3,5-dimethyl-4-isoxazolyl)methyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F399-0770
3-butyl-2-{[(3,5-dimethyl-4-isoxazolyl)methyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

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

F399-0770

Molecular Formula

C19H20N4O2S2 (C19 H20 N4 O2 S2)

Compound Name

3-butyl-2-{[(3,5-dimethyl-4-isoxazolyl)methyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

IUPAC name

5-butyl-4-{[(35-dimethyl-12-oxazol-4-yl)methyl]sulfanyl}-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-6-one

SMILES

CCCCN(C1=O)C(SCc2c(C)onc2C)=Nc2c1sc1ncccc12

InChI

InChI=1S/C19H20N4O2S2/c1-4-5-9-23-18(24)16-15(13-7-6-8-20-17(13)27-16)21-19(23)26-10-14-11(2)22-25-12(14)3/h6-8H,4-5,9-10H2,1-3H3

InChI Key

RBQVPNYKKZUEKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27123762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.112

Distribution Coefficient, logD

4.112

Water Solubility, LogSw

-3.91

Polar Surface Area

55.960

Acid Dissociation Constant (pKa)

28.24

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

F399-0770 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F399-0770 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F399-0770?
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What is the minimum amount of F399-0770 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F399-0770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F399-0770
  • 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 F399-0770 available by request