F815-0503 Screening compound: N~1~-(3,4-dimethoxyphenyl)-2-[3-oxo-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide

F815-0503 Screening compound: N~1~-(3,4-dimethoxyphenyl)-2-[3-oxo-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
F815-0503 Screening compound: N~1~-(3,4-dimethoxyphenyl)-2-[3-oxo-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F815-0503
N~1~-(3,4-dimethoxyphenyl)-2-[3-oxo-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide

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

F815-0503

Molecular Formula

C22H23N5O4S (C22 H23 N5 O4 S)

Compound Name

N~1~-(3,4-dimethoxyphenyl)-2-[3-oxo-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide

IUPAC name

N-(34-dimethoxyphenyl)-2-{14-oxo-9-thia-11131516-tetraazatetracyclo[8.7.0.0^{28}.0^{1317}]heptadeca-1(10)2(8)1116-tetraen-15-yl}acetamide

SMILES

COc(ccc(NC(CN1N=C(c2c(N=C3)sc4c2CCCCC4)N3C1=O)=O)c1)c1OC

InChI

InChI=1S/C22H23N5O4S/c1-30-15-9-8-13(10-16(15)31-2)24-18(28)11-27-22(29)26-12-23-21-19(20(26)25-27)14-6-4-3-5-7-17(14)32-21/h8-10,12H,3-7,11H2,1-2H3,(H,24,28)

InChI Key

UBCOCWHWDBTGJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27194232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.250

Distribution Coefficient, logD

3.250

Water Solubility, LogSw

-3.61

Polar Surface Area

80.252

Acid Dissociation Constant (pKa)

12.03

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

F815-0503 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F815-0503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F815-0503?
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What is the minimum amount of F815-0503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F815-0503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F815-0503
  • 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 F815-0503 available by request