8007-4322 Screening compound: 2-(morpholin-4-yl)-2-oxoethyl 2-({[(5-bromopyridin-2-yl)carbamoyl]methyl}sulfanyl)acetate

8007-4322 Screening compound: 2-(morpholin-4-yl)-2-oxoethyl 2-({[(5-bromopyridin-2-yl)carbamoyl]methyl}sulfanyl)acetate
8007-4322 Screening compound: 2-(morpholin-4-yl)-2-oxoethyl 2-({[(5-bromopyridin-2-yl)carbamoyl]methyl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-4322
2-(morpholin-4-yl)-2-oxoethyl 2-({[(5-bromopyridin-2-yl)carbamoyl]methyl}sulfanyl)acetate

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

8007-4322

Molecular Formula

C15H18BrN3O5S (C15 H18 BrN3 O5 S)

Compound Name

2-(morpholin-4-yl)-2-oxoethyl 2-({[(5-bromopyridin-2-yl)carbamoyl]methyl}sulfanyl)acetate

IUPAC name

2-(morpholin-4-yl)-2-oxoethyl 2-({[(5-bromopyridin-2-yl)carbamoyl]methyl}sulfanyl)acetate

SMILES

O=C(CSCC(OCC(N1CCOCC1)=O)=O)Nc(cc1)ncc1Br

InChI

InChI=1S/C15H18BrN3O5S/c16-11-1-2-12(17-7-11)18-13(20)9-25-10-15(22)24-8-14(21)19-3-5-23-6-4-19/h1-2,7H,3-6,8-10H2,(H,17,18,20)

InChI Key

HIAZAIMDAZNYSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01304683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.3

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.166

Distribution Coefficient, logD

1.157

Water Solubility, LogSw

-2.12

Polar Surface Area

77.656

Acid Dissociation Constant (pKa)

9.07

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

8007-4322 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8007-4322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-4322?
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What is the minimum amount of 8007-4322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-4322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-4322
  • 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 8007-4322 available by request