C862-0179 Screening compound: 2-{2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}-N-[3-(propan-2-yloxy)propyl]acetamide

C862-0179 Screening compound: 2-{2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}-N-[3-(propan-2-yloxy)propyl]acetamide
C862-0179 Screening compound: 2-{2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}-N-[3-(propan-2-yloxy)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C862-0179
2-{2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}-N-[3-(propan-2-yloxy)propyl]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

C862-0179

Molecular Formula

C15H21N3O3S (C15 H21 N3 O3 S)

Compound Name

2-{2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}-N-[3-(propan-2-yloxy)propyl]acetamide

IUPAC name

2-{2-oxo-1H2H3H-pyrido[23-b][14]thiazin-1-yl}-N-[3-(propan-2-yloxy)propyl]acetamide

SMILES

CC(C)OCCCNC(CN1c2cccnc2SCC1=O)=O

InChI

InChI=1S/C15H21N3O3S/c1-11(2)21-8-4-7-16-13(19)9-18-12-5-3-6-17-15(12)22-10-14(18)20/h3,5-6,11H,4,7-10H2,1-2H3,(H,16,19)

InChI Key

XVIPWBDEWCPKQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.492

Distribution Coefficient, logD

0.492

Water Solubility, LogSw

-2.16

Polar Surface Area

58.457

Acid Dissociation Constant (pKa)

15.48

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

C862-0179 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 C862-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C862-0179?
Check Price and Availability of C862-0179, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C862-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C862-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C862-0179
  • 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 C862-0179 available by request