5511-0309 Screening compound: 5-(3-ethoxyphenyl)-2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

5511-0309 Screening compound: 5-(3-ethoxyphenyl)-2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
5511-0309 Screening compound: 5-(3-ethoxyphenyl)-2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5511-0309
5-(3-ethoxyphenyl)-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

5511-0309

Molecular Formula

C22H20N2O2S (C22 H20 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc1cccc(C(N(C2C3)N=C3c3cccs3)Oc3c2cccc3)c1

InChI

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

InChI Key

FAKVZUCEBGELSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04230877

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

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.505

Distribution Coefficient, logD

5.505

Water Solubility, LogSw

-5.59

Polar Surface Area

30.188

Acid Dissociation Constant (pKa)

17.33

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.70

5511-0309 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 5511-0309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5511-0309?
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What is the minimum amount of 5511-0309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5511-0309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5511-0309
  • 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 5511-0309 available by request