6835-5719 Screening compound: methyl 4-[2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate

6835-5719 Screening compound: methyl 4-[2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate
6835-5719 Screening compound: methyl 4-[2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6835-5719
methyl 4-[2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate

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

6835-5719

Molecular Formula

C22H18N2O3S (C22 H18 N2 O3 S)

Compound Name

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

IUPAC name

methyl 4-[4-(thiophen-2-yl)-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(9)41012-tetraen-7-yl]benzoate

SMILES

COC(c1ccc(C(N(C2C3)N=C3c3cccs3)Oc3c2cccc3)cc1)=O

InChI

InChI=1S/C22H18N2O3S/c1-26-22(25)15-10-8-14(9-11-15)21-24-18(16-5-2-3-6-19(16)27-21)13-17(23-24)20-7-4-12-28-20/h2-12,18,21H,13H2,1H3

InChI Key

WWODMUHSIJBPDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02609427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.218

Distribution Coefficient, logD

5.218

Water Solubility, LogSw

-5.21

Polar Surface Area

44.238

Acid Dissociation Constant (pKa)

17.33

Base Dissociation Constant (pKb)

1.95

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

18.20

6835-5719 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 6835-5719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6835-5719?
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What is the minimum amount of 6835-5719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6835-5719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6835-5719
  • 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 6835-5719 available by request