K062-0071 Screening compound: (1S,9S)-N~11~-(3,4-dichlorophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carboxamide

K062-0071 Screening compound: (1S,9S)-N~11~-(3,4-dichlorophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carboxamide
K062-0071 Screening compound: (1S,9S)-N~11~-(3,4-dichlorophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K062-0071
(1S,9S)-N~11~-(3,4-dichlorophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-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

K062-0071

Molecular Formula

C18H17Cl2N3O2 (C18 H17 Cl2 N3 O2)

Compound Name

(1S,9S)-N~11~-(3,4-dichlorophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carboxamide

IUPAC name

(1S9S)-N-(34-dichlorophenyl)-6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-diene-11-carboxamide

SMILES

O=C(Nc(cc1)cc(Cl)c1Cl)N(C[C@@H](C1)CN23)C[C@H]1C3=CC=CC2=O

InChI

InChI=1S/C18H17Cl2N3O2/c19-14-5-4-13(7-15(14)20)21-18(25)22-8-11-6-12(10-22)16-2-1-3-17(24)23(16)9-11/h1-5,7,11-12H,6,8-10H2,(H,21,25)/t11-,12-/m0/s1

InChI Key

RQNGKDNYKFEWBP-RYUDHWBXSA-N

MDL Number (MFCD)

MFCD01248613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.240

Distribution Coefficient, logD

4.239

Water Solubility, LogSw

-4.45

Polar Surface Area

41.406

Acid Dissociation Constant (pKa)

10.26

Base Dissociation Constant (pKb)

0.50

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

K062-0071 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with K062-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K062-0071?
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What is the minimum amount of K062-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K062-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K062-0071
  • 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 K062-0071 available by request