5511-0064 Screening compound: 4-[2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-1,3-benzenediol

5511-0064 Screening compound: 4-[2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-1,3-benzenediol
5511-0064 Screening compound: 4-[2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-1,3-benzenediol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5511-0064
4-[2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-1,3-benzenediol

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

5511-0064

Molecular Formula

C20H16N2O3S (C20 H16 N2 O3 S)

Compound Name

4-[2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-1,3-benzenediol

IUPAC name

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

SMILES

Oc1cc(O)c(C(N(C2C3)N=C3c3cccs3)Oc3c2cccc3)cc1

InChI

InChI=1S/C20H16N2O3S/c23-12-7-8-14(17(24)10-12)20-22-16(13-4-1-2-5-18(13)25-20)11-15(21-22)19-6-3-9-26-19/h1-10,16,20,23-24H,11H2

InChI Key

YTFJVBNKQOIEKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02700822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.342

Distribution Coefficient, logD

4.338

Water Solubility, LogSw

-4.15

Polar Surface Area

57.229

Acid Dissociation Constant (pKa)

9.44

Base Dissociation Constant (pKb)

1.92

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

15.00

5511-0064 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 5511-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5511-0064?
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What is the minimum amount of 5511-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5511-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5511-0064
  • 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 5511-0064 available by request