5793-0040 Screening compound: 2-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

5793-0040 Screening compound: 2-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
5793-0040 Screening compound: 2-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5793-0040
2-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

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

5793-0040

Molecular Formula

C25H24N2O4 (C25 H24 N2 O4)

Compound Name

2-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

IUPAC name

4-(34-dimethoxyphenyl)-7-(4-methoxyphenyl)-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(9)41012-tetraene

SMILES

COc1ccc(C(N(C2C3)N=C3c(cc3)cc(OC)c3OC)Oc3c2cccc3)cc1

InChI

InChI=1S/C25H24N2O4/c1-28-18-11-8-16(9-12-18)25-27-21(19-6-4-5-7-22(19)31-25)15-20(26-27)17-10-13-23(29-2)24(14-17)30-3/h4-14,21,25H,15H2,1-3H3

InChI Key

GREUMNGTKWBCJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01932364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.871

Distribution Coefficient, logD

4.871

Water Solubility, LogSw

-4.68

Polar Surface Area

44.850

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.00

5793-0040 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5793-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5793-0040?
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What is the minimum amount of 5793-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5793-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5793-0040
  • 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 5793-0040 available by request