C319-0211 Screening compound: 2-(azepan-1-yl)-N-{4-methyl-5-oxo-5H-chromeno[4,3-b]pyridin-2-yl}acetamide

C319-0211 Screening compound: 2-(azepan-1-yl)-N-{4-methyl-5-oxo-5H-chromeno[4,3-b]pyridin-2-yl}acetamide
C319-0211 Screening compound: 2-(azepan-1-yl)-N-{4-methyl-5-oxo-5H-chromeno[4,3-b]pyridin-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C319-0211
2-(azepan-1-yl)-N-{4-methyl-5-oxo-5H-chromeno[4,3-b]pyridin-2-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

C319-0211

Molecular Formula

C21H23N3O3 (C21 H23 N3 O3)

Compound Name

2-(azepan-1-yl)-N-{4-methyl-5-oxo-5H-chromeno[4,3-b]pyridin-2-yl}acetamide

IUPAC name

2-(azepan-1-yl)-N-{4-methyl-5-oxo-5H-chromeno[43-b]pyridin-2-yl}acetamide

SMILES

Cc1cc(NC(CN2CCCCCC2)=O)nc(-c(cccc2)c2O2)c1C2=O

InChI

InChI=1S/C21H23N3O3/c1-14-12-17(22-18(25)13-24-10-6-2-3-7-11-24)23-20-15-8-4-5-9-16(15)27-21(26)19(14)20/h4-5,8-9,12H,2-3,6-7,10-11,13H2,1H3,(H,22,23,25)

InChI Key

FQRFQFSQWPZOJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04474494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.000

Distribution Coefficient, logD

3.910

Water Solubility, LogSw

-4.22

Polar Surface Area

58.146

Acid Dissociation Constant (pKa)

10.26

Base Dissociation Constant (pKb)

6.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

C319-0211 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 C319-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C319-0211?
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What is the minimum amount of C319-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C319-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C319-0211
  • 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 C319-0211 available by request