1812-0562 Screening compound: 4-methyl-N-(2-methyl-5-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)-3-nitrobenzamide

1812-0562 Screening compound: 4-methyl-N-(2-methyl-5-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)-3-nitrobenzamide
1812-0562 Screening compound: 4-methyl-N-(2-methyl-5-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1812-0562
4-methyl-N-(2-methyl-5-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)-3-nitrobenzamide

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

1812-0562

Molecular Formula

C21H16N4O4 (C21 H16 N4 O4)

Compound Name

4-methyl-N-(2-methyl-5-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)-3-nitrobenzamide

IUPAC name

4-methyl-N-(2-methyl-5-{[13]oxazolo[45-b]pyridin-2-yl}phenyl)-3-nitrobenzamide

SMILES

Cc(ccc(-c1nc(nccc2)c2o1)c1)c1NC(c1cc([N+]([O-])=O)c(C)cc1)=O

InChI

InChI=1S/C21H16N4O4/c1-12-5-8-15(21-24-19-18(29-21)4-3-9-22-19)10-16(12)23-20(26)14-7-6-13(2)17(11-14)25(27)28/h3-11H,1-2H3,(H,23,26)

InChI Key

NZEBWHITHAWRDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01063193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.148

Distribution Coefficient, logD

4.147

Water Solubility, LogSw

-4.28

Polar Surface Area

82.897

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 1812-0562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1812-0562?
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What is the minimum amount of 1812-0562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1812-0562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1812-0562
  • 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 1812-0562 available by request