5511-0074 Screening compound: 2-ethoxy-3-nitro-4-[2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol

5511-0074 Screening compound: 2-ethoxy-3-nitro-4-[2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol
5511-0074 Screening compound: 2-ethoxy-3-nitro-4-[2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5511-0074
2-ethoxy-3-nitro-4-[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

5511-0074

Molecular Formula

C22H19N3O5S (C22 H19 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(c([N+]([O-])=O)c(C(N(C1C2)N=C2c2cccs2)Oc2c1cccc2)cc1)c1O

InChI

InChI=1S/C22H19N3O5S/c1-2-29-21-17(26)10-9-14(20(21)25(27)28)22-24-16(13-6-3-4-7-18(13)30-22)12-15(23-24)19-8-5-11-31-19/h3-11,16,22,26H,2,12H2,1H3

InChI Key

CGFSLPRBQLGRQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03271289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.250

Distribution Coefficient, logD

5.147

Water Solubility, LogSw

-5.04

Polar Surface Area

79.689

Acid Dissociation Constant (pKa)

7.97

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.70

5511-0074 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 5511-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5511-0074?
Check Price and Availability of 5511-0074, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5511-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5511-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5511-0074
  • 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 5511-0074 available by request