6835-5716 Screening compound: 5-(3-chlorophenyl)-2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

6835-5716 Screening compound: 5-(3-chlorophenyl)-2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
6835-5716 Screening compound: 5-(3-chlorophenyl)-2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6835-5716
5-(3-chlorophenyl)-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

6835-5716

Molecular Formula

C20H15ClN2OS (C20 H15 ClN2 OS)

Compound Name

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

IUPAC name

7-(3-chlorophenyl)-4-(thiophen-2-yl)-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(9)41012-tetraene

SMILES

Clc1cc(C(N(C2C3)N=C3c3cccs3)Oc3c2cccc3)ccc1

InChI

InChI=1S/C20H15ClN2OS/c21-14-6-3-5-13(11-14)20-23-17(15-7-1-2-8-18(15)24-20)12-16(22-23)19-9-4-10-25-19/h1-11,17,20H,12H2

InChI Key

BYKUNAMVQPMIQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01542744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.87

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.700

Distribution Coefficient, logD

5.700

Water Solubility, LogSw

-6.12

Polar Surface Area

23.064

Acid Dissociation Constant (pKa)

17.33

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

15.00

6835-5716 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 6835-5716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6835-5716?
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What is the minimum amount of 6835-5716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6835-5716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6835-5716
  • 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 6835-5716 available by request