C862-1981 Screening compound: 4-{6,8-dimethyl-2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]butanamide

C862-1981 Screening compound: 4-{6,8-dimethyl-2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]butanamide
C862-1981 Screening compound: 4-{6,8-dimethyl-2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C862-1981
4-{6,8-dimethyl-2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]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

C862-1981

Molecular Formula

C23H36N4O2S (C23 H36 N4 O2 S)

Compound Name

4-{6,8-dimethyl-2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]butanamide

IUPAC name

4-{68-dimethyl-2-oxo-1H2H3H-pyrido[23-b][14]thiazin-1-yl}-N-[3-(35-dimethylpiperidin-1-yl)propyl]butanamide

SMILES

CC1CN(CCCNC(CCCN2c3c(C)cc(C)nc3SCC2=O)=O)CC(C)C1

InChI

InChI=1S/C23H36N4O2S/c1-16-11-17(2)14-26(13-16)9-6-8-24-20(28)7-5-10-27-21(29)15-30-23-22(27)18(3)12-19(4)25-23/h12,16-17H,5-11,13-15H2,1-4H3,(H,24,28)

InChI Key

AEEOZODJSAJFSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.498

Distribution Coefficient, logD

-0.107

Water Solubility, LogSw

-2.53

Polar Surface Area

55.344

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

10.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

69.60

C862-1981 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C862-1981 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C862-1981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C862-1981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C862-1981
  • 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 C862-1981 available by request