C862-1846 Screening compound: N-cycloheptyl-4-{6,8-dimethyl-2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}butanamide

C862-1846 Screening compound: N-cycloheptyl-4-{6,8-dimethyl-2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}butanamide
C862-1846 Screening compound: N-cycloheptyl-4-{6,8-dimethyl-2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C862-1846
N-cycloheptyl-4-{6,8-dimethyl-2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}butanamide

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

C862-1846

Molecular Formula

C20H29N3O2S (C20 H29 N3 O2 S)

Compound Name

N-cycloheptyl-4-{6,8-dimethyl-2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}butanamide

IUPAC name

N-cycloheptyl-4-{68-dimethyl-2-oxo-1H2H3H-pyrido[23-b][14]thiazin-1-yl}butanamide

SMILES

Cc(cc(C)nc1SC2)c1N(CCCC(NC1CCCCCC1)=O)C2=O

InChI

InChI=1S/C20H29N3O2S/c1-14-12-15(2)21-20-19(14)23(18(25)13-26-20)11-7-10-17(24)22-16-8-5-3-4-6-9-16/h12,16H,3-11,13H2,1-2H3,(H,22,24)

InChI Key

CCOWTLMSVNMNHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.355

Distribution Coefficient, logD

3.335

Water Solubility, LogSw

-3.61

Polar Surface Area

51.709

Acid Dissociation Constant (pKa)

14.82

Base Dissociation Constant (pKb)

6.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

C862-1846 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C862-1846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C862-1846?
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What is the minimum amount of C862-1846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C862-1846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C862-1846
  • 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 C862-1846 available by request