F815-0564 Screening compound: N~1~-(3-chloro-4-fluorophenyl)-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

F815-0564 Screening compound: N~1~-(3-chloro-4-fluorophenyl)-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
F815-0564 Screening compound: N~1~-(3-chloro-4-fluorophenyl)-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 F815-0564
N~1~-(3-chloro-4-fluorophenyl)-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

F815-0564

Molecular Formula

C20H17ClFN5O2S (C20 H17 ClFN5 O2 S)

Compound Name

N~1~-(3-chloro-4-fluorophenyl)-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-(3-chloro-4-fluorophenyl)-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

O=C(CN1N=C(c2c(N=C3)sc4c2CCCCC4)N3C1=O)Nc(cc1)cc(Cl)c1F

InChI

InChI=1S/C20H17ClFN5O2S/c21-13-8-11(6-7-14(13)22)24-16(28)9-27-20(29)26-10-23-19-17(18(26)25-27)12-4-2-1-3-5-15(12)30-19/h6-8,10H,1-5,9H2,(H,24,28)

InChI Key

BXQZNLUUOMRIBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27194247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.445

Distribution Coefficient, logD

4.442

Water Solubility, LogSw

-4.87

Polar Surface Area

64.991

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

F815-0564 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F815-0564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F815-0564?
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What is the minimum amount of F815-0564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F815-0564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F815-0564
  • 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 F815-0564 available by request