8018-1513 Screening compound: [5-amino-7-thia-1,9-diazatetracyclo[9.2.2.0~2,10~.0~4,8~]pentadeca-2,4(8),5,9-tetraen-6-yl](4-chlorophenyl)methanone

8018-1513 Screening compound: [5-amino-7-thia-1,9-diazatetracyclo[9.2.2.0~2,10~.0~4,8~]pentadeca-2,4(8),5,9-tetraen-6-yl](4-chlorophenyl)methanone
8018-1513 Screening compound: [5-amino-7-thia-1,9-diazatetracyclo[9.2.2.0~2,10~.0~4,8~]pentadeca-2,4(8),5,9-tetraen-6-yl](4-chlorophenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1513
[5-amino-7-thia-1,9-diazatetracyclo[9.2.2.0~2,10~.0~4,8~]pentadeca-2,4(8),5,9-tetraen-6-yl](4-chlorophenyl)methanone

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

8018-1513

Molecular Formula

C19H16ClN3OS (C19 H16 ClN3 OS)

Compound Name

[5-amino-7-thia-1,9-diazatetracyclo[9.2.2.0~2,10~.0~4,8~]pentadeca-2,4(8),5,9-tetraen-6-yl](4-chlorophenyl)methanone

IUPAC name

6-(4-chlorobenzoyl)-7-thia-19-diazatetracyclo[9.2.2.0^{210}.0^{48}]pentadeca-24(8)59-tetraen-5-amine

SMILES

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

InChI

InChI=1S/C19H16ClN3OS/c20-12-3-1-11(2-4-12)17(24)18-15(21)13-9-14-16(22-19(13)25-18)10-5-7-23(14)8-6-10/h1-4,9-10H,5-8,21H2

InChI Key

DQLBIGNPDNNGFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00374964

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.87

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.076

Distribution Coefficient, logD

5.074

Water Solubility, LogSw

-5.48

Polar Surface Area

46.399

Acid Dissociation Constant (pKa)

21.72

Base Dissociation Constant (pKb)

5.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

8018-1513 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-1513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1513?
Check Price and Availability of 8018-1513, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8018-1513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1513
  • 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 8018-1513 available by request