F396-1013 Screening compound: ethyl 4-({2-[(3-butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate

F396-1013 Screening compound: ethyl 4-({2-[(3-butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
F396-1013 Screening compound: ethyl 4-({2-[(3-butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F396-1013
ethyl 4-({2-[(3-butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate

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

F396-1013

Molecular Formula

C24H24N4O4S2 (C24 H24 N4 O4 S2)

Compound Name

ethyl 4-({2-[(3-butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate

IUPAC name

ethyl 4-[2-({5-butyl-6-oxo-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-4-yl}sulfanyl)acetamido]benzoate

SMILES

CCCCN(C1=O)C(SCC(Nc(cc2)ccc2C(OCC)=O)=O)=Nc2c1sc1ncccc12

InChI

InChI=1S/C24H24N4O4S2/c1-3-5-13-28-22(30)20-19(17-7-6-12-25-21(17)34-20)27-24(28)33-14-18(29)26-16-10-8-15(9-11-16)23(31)32-4-2/h6-12H,3-5,13-14H2,1-2H3,(H,26,29)

InChI Key

KYYRZXJNNCIZPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16635735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.915

Distribution Coefficient, logD

4.915

Water Solubility, LogSw

-4.60

Polar Surface Area

77.824

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

F396-1013 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F396-1013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F396-1013?
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What is the minimum amount of F396-1013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F396-1013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F396-1013
  • 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 F396-1013 available by request