8017-2746 Screening compound: 5-amino-N-(4-chlorophenyl)-7-thia-1,9-diazatetracyclo[9.2.2.0~2,10~.0~4,8~]pentadeca-2(10),3,5,8-tetraene-6-carboxamide

8017-2746 Screening compound: 5-amino-N-(4-chlorophenyl)-7-thia-1,9-diazatetracyclo[9.2.2.0~2,10~.0~4,8~]pentadeca-2(10),3,5,8-tetraene-6-carboxamide
8017-2746 Screening compound: 5-amino-N-(4-chlorophenyl)-7-thia-1,9-diazatetracyclo[9.2.2.0~2,10~.0~4,8~]pentadeca-2(10),3,5,8-tetraene-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2746
5-amino-N-(4-chlorophenyl)-7-thia-1,9-diazatetracyclo[9.2.2.0~2,10~.0~4,8~]pentadeca-2(10),3,5,8-tetraene-6-carboxamide

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

8017-2746

Molecular Formula

C19H17ClN4OS (C19 H17 ClN4 OS)

Compound Name

5-amino-N-(4-chlorophenyl)-7-thia-1,9-diazatetracyclo[9.2.2.0~2,10~.0~4,8~]pentadeca-2(10),3,5,8-tetraene-6-carboxamide

IUPAC name

5-amino-N-(4-chlorophenyl)-7-thia-19-diazatetracyclo[9.2.2.0^{210}.0^{48}]pentadeca-2(10)358-tetraene-6-carboxamide

SMILES

Nc1c(C(Nc(cc2)ccc2Cl)=O)sc2c1cc1N(CC3)CCC3c1n2

InChI

InChI=1S/C19H17ClN4OS/c20-11-1-3-12(4-2-11)22-18(25)17-15(21)13-9-14-16(23-19(13)26-17)10-5-7-24(14)8-6-10/h1-4,9-10H,5-8,21H2,(H,22,25)

InChI Key

HMCFCXLJUSZJHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06015519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.89

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.638

Distribution Coefficient, logD

4.636

Water Solubility, LogSw

-4.92

Polar Surface Area

56.023

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

8017-2746 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8017-2746 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2746
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2746
  • 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 8017-2746 available by request