G944-0449 Screening compound: 4-{[3-(1-propyl-1H-1,2,3-benzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

G944-0449 Screening compound: 4-{[3-(1-propyl-1H-1,2,3-benzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
G944-0449 Screening compound: 4-{[3-(1-propyl-1H-1,2,3-benzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G944-0449
4-{[3-(1-propyl-1H-1,2,3-benzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

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

G944-0449

Molecular Formula

C20H18N6O3 (C20 H18 N6 O3)

Compound Name

4-{[3-(1-propyl-1H-1,2,3-benzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

4-{[3-(1-propyl-1H-123-benzotriazol-5-yl)-124-oxadiazol-5-yl]methyl}-34-dihydro-2H-14-benzoxazin-3-one

SMILES

CCCn1nnc2c1ccc(-c1noc(CN3c(cccc4)c4OCC3=O)n1)c2

InChI

InChI=1S/C20H18N6O3/c1-2-9-26-15-8-7-13(10-14(15)22-24-26)20-21-18(29-23-20)11-25-16-5-3-4-6-17(16)28-12-19(25)27/h3-8,10H,2,9,11-12H2,1H3

InChI Key

ZHULWFOAHRBWTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.937

Distribution Coefficient, logD

2.937

Water Solubility, LogSw

-3.28

Polar Surface Area

81.087

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G944-0449 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G944-0449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G944-0449?
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What is the minimum amount of G944-0449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G944-0449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G944-0449
  • 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 G944-0449 available by request