8016-5441 Screening compound: (1R,4R)-N~1~-(4,5-DIMETHYL-1,3-THIAZOL-2-YL)-4,7,7-TRIMETHYL-3-OXOBICYCLO[2.2.1]HEPTANE-1-CARBOXAMIDE

8016-5441 Screening compound: (1R,4R)-N~1~-(4,5-DIMETHYL-1,3-THIAZOL-2-YL)-4,7,7-TRIMETHYL-3-OXOBICYCLO[2.2.1]HEPTANE-1-CARBOXAMIDE
8016-5441 Screening compound: (1R,4R)-N~1~-(4,5-DIMETHYL-1,3-THIAZOL-2-YL)-4,7,7-TRIMETHYL-3-OXOBICYCLO[2.2.1]HEPTANE-1-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5441
(1R,4R)-N~1~-(4,5-DIMETHYL-1,3-THIAZOL-2-YL)-4,7,7-TRIMETHYL-3-OXOBICYCLO[2.2.1]HEPTANE-1-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

8016-5441

Molecular Formula

C16H22N2O2S (C16 H22 N2 O2 S)

Compound Name

(1R,4R)-N~1~-(4,5-DIMETHYL-1,3-THIAZOL-2-YL)-4,7,7-TRIMETHYL-3-OXOBICYCLO[2.2.1]HEPTANE-1-CARBOXAMIDE

IUPAC name

n/a

SMILES

CC(C)([C@](C)(CC1)C(C2)=O)[C@@]12C(Nc1nc(C)c(C)s1)=O

InChI

InChI=1S/C16H22N2O2S/c1-9-10(2)21-13(17-9)18-12(20)16-7-6-15(5,11(19)8-16)14(16,3)4/h6-8H2,1-5H3,(H,17,18,20)/t15-,16-/m1/s1

InChI Key

ANWJVHXPSHGFCI-HZPDHXFCSA-N

MDL Number (MFCD)

MFCD03731200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.212

Distribution Coefficient, logD

1.523

Water Solubility, LogSw

-3.41

Polar Surface Area

48.045

Acid Dissociation Constant (pKa)

5.72

Base Dissociation Constant (pKb)

3.26

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

68.80

8016-5441 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8016-5441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5441?
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What is the minimum amount of 8016-5441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5441
  • 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 8016-5441 available by request