C202-3815 Screening compound: 3-(4-nitrophenyl)-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazole

C202-3815 Screening compound: 3-(4-nitrophenyl)-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazole
C202-3815 Screening compound: 3-(4-nitrophenyl)-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3815
3-(4-nitrophenyl)-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazole

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

C202-3815

Molecular Formula

C16H13N3O3 (C16 H13 N3 O3)

Compound Name

3-(4-nitrophenyl)-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazole

IUPAC name

5-(4-nitrophenyl)-8-oxa-34-diazatricyclo[7.4.0.0^{26}]trideca-1(13)2911-tetraene

SMILES

[O-][N+](c1ccc(C2NN=C3c(cccc4)c4OCC23)cc1)=O

InChI

InChI=1S/C16H13N3O3/c20-19(21)11-7-5-10(6-8-11)15-13-9-22-14-4-2-1-3-12(14)16(13)18-17-15/h1-8,13,15,17H,9H2

InChI Key

YZNSWPGRZGYDAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14731774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.704

Distribution Coefficient, logD

3.703

Water Solubility, LogSw

-4.12

Polar Surface Area

65.159

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

18.80

C202-3815 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C202-3815 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3815?
Check Price and Availability of C202-3815, 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 C202-3815 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3815
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3815
  • 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 C202-3815 available by request