5793-0041 Screening compound: 2,5-bis(3,4-dimethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

5793-0041 Screening compound: 2,5-bis(3,4-dimethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
5793-0041 Screening compound: 2,5-bis(3,4-dimethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5793-0041
2,5-bis(3,4-dimethoxyphenyl)-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

5793-0041

Molecular Formula

C26H26N2O5 (C26 H26 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(C(N(C1C2)N=C2c(cc2)cc(OC)c2OC)Oc2c1cccc2)c1)c1OC

InChI

InChI=1S/C26H26N2O5/c1-29-22-11-9-16(13-24(22)31-3)19-15-20-18-7-5-6-8-21(18)33-26(28(20)27-19)17-10-12-23(30-2)25(14-17)32-4/h5-14,20,26H,15H2,1-4H3

InChI Key

LZDMZYNUJSSQGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01932366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.521

Distribution Coefficient, logD

4.521

Water Solubility, LogSw

-4.46

Polar Surface Area

52.567

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.90

5793-0041 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 5793-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5793-0041?
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What is the minimum amount of 5793-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5793-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5793-0041
  • 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 5793-0041 available by request