N099-0011 Screening compound: N~1~-(5-ethyl-1,3-thiazol-2-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)acetamide

N099-0011 Screening compound: N~1~-(5-ethyl-1,3-thiazol-2-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)acetamide
N099-0011 Screening compound: N~1~-(5-ethyl-1,3-thiazol-2-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N099-0011
N~1~-(5-ethyl-1,3-thiazol-2-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-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

N099-0011

Molecular Formula

C18H22N4O2S (C18 H22 N4 O2 S)

Compound Name

N~1~-(5-ethyl-1,3-thiazol-2-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)acetamide

IUPAC name

N-(5-ethyl-13-thiazol-2-yl)-2-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}acetamide

SMILES

CCc1cnc(NC(CN(CC(C2)CN34)CC2C4=CC=CC3=O)=O)s1

InChI

InChI=1S/C18H22N4O2S/c1-2-14-7-19-18(25-14)20-16(23)11-21-8-12-6-13(10-21)15-4-3-5-17(24)22(15)9-12/h3-5,7,12-13H,2,6,8-11H2,1H3,(H,19,20,23)

InChI Key

CHYQGJMCBHMDLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15141766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.359

Distribution Coefficient, logD

3.294

Water Solubility, LogSw

-3.23

Polar Surface Area

53.387

Acid Dissociation Constant (pKa)

8.23

Base Dissociation Constant (pKb)

5.47

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

N099-0011 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Ion Channels Focused Library (26372 compounds)

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Kinases
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with N099-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N099-0011?
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What is the minimum amount of N099-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N099-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N099-0011
  • 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 N099-0011 available by request