7472-0150 Screening compound: 2-{[3-(morpholin-4-yl)quinoxalin-2-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]acetamide

7472-0150 Screening compound: 2-{[3-(morpholin-4-yl)quinoxalin-2-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]acetamide
7472-0150 Screening compound: 2-{[3-(morpholin-4-yl)quinoxalin-2-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7472-0150
2-{[3-(morpholin-4-yl)quinoxalin-2-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]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

7472-0150

Molecular Formula

C19H20N4O2S2 (C19 H20 N4 O2 S2)

Compound Name

2-{[3-(morpholin-4-yl)quinoxalin-2-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]acetamide

IUPAC name

2-{[3-(morpholin-4-yl)quinoxalin-2-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]acetamide

SMILES

O=C(CSc1nc2ccccc2nc1N1CCOCC1)NCc1cccs1

InChI

InChI=1S/C19H20N4O2S2/c24-17(20-12-14-4-3-11-26-14)13-27-19-18(23-7-9-25-10-8-23)21-15-5-1-2-6-16(15)22-19/h1-6,11H,7-10,12-13H2,(H,20,24)

InChI Key

KMOFVOVBDOZINS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.589

Distribution Coefficient, logD

3.589

Water Solubility, LogSw

-3.54

Polar Surface Area

53.815

Acid Dissociation Constant (pKa)

14.01

Base Dissociation Constant (pKb)

1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

7472-0150 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 7472-0150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7472-0150?
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What is the minimum amount of 7472-0150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7472-0150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7472-0150
  • 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 7472-0150 available by request