5511-0059 Screening compound: 2-ethoxy-6-[2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol

5511-0059 Screening compound: 2-ethoxy-6-[2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol
5511-0059 Screening compound: 2-ethoxy-6-[2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5511-0059
2-ethoxy-6-[2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol

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

5511-0059

Molecular Formula

C22H20N2O3S (C22 H20 N2 O3 S)

Compound Name

2-ethoxy-6-[2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol

IUPAC name

2-ethoxy-6-[4-(thiophen-2-yl)-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(13)4911-tetraen-7-yl]phenol

SMILES

CCOc1cccc(C(N(C2C3)N=C3c3cccs3)Oc3c2cccc3)c1O

InChI

InChI=1S/C22H20N2O3S/c1-2-26-19-10-5-8-15(21(19)25)22-24-17(14-7-3-4-9-18(14)27-22)13-16(23-24)20-11-6-12-28-20/h3-12,17,22,25H,2,13H2,1H3

InChI Key

BAPKTBYGPQCKON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03708297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.277

Distribution Coefficient, logD

5.276

Water Solubility, LogSw

-5.22

Polar Surface Area

45.754

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

1.79

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.70

5511-0059 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 5511-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5511-0059?
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What is the minimum amount of 5511-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5511-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5511-0059
  • 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 5511-0059 available by request