6969-1615 Screening compound: 5-(4-methoxy-3-methylphenyl)-2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

6969-1615 Screening compound: 5-(4-methoxy-3-methylphenyl)-2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
6969-1615 Screening compound: 5-(4-methoxy-3-methylphenyl)-2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6969-1615
5-(4-methoxy-3-methylphenyl)-2-(2-thienyl)-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

6969-1615

Molecular Formula

C22H20N2O2S (C22 H20 N2 O2 S)

Compound Name

5-(4-methoxy-3-methylphenyl)-2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

IUPAC name

7-(4-methoxy-3-methylphenyl)-4-(thiophen-2-yl)-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(13)4911-tetraene

SMILES

Cc(cc(C(N(C1C2)N=C2c2cccs2)Oc2c1cccc2)cc1)c1OC

InChI

InChI=1S/C22H20N2O2S/c1-14-12-15(9-10-19(14)25-2)22-24-18(16-6-3-4-7-20(16)26-22)13-17(23-24)21-8-5-11-27-21/h3-12,18,22H,13H2,1-2H3

InChI Key

GXLCOBJUJMRHDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13370945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.592

Distribution Coefficient, logD

5.592

Water Solubility, LogSw

-5.62

Polar Surface Area

30.695

Acid Dissociation Constant (pKa)

17.33

Base Dissociation Constant (pKb)

2.38

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.70

6969-1615 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 6969-1615 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6969-1615?
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What is the minimum amount of 6969-1615 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6969-1615
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6969-1615
  • 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 6969-1615 available by request