D470-0404 Screening compound: 1-(2H-1,3-benzodioxole-5-sulfonyl)-1H,2H,3H-pyrrolo[2,3-b]quinoline

D470-0404 Screening compound: 1-(2H-1,3-benzodioxole-5-sulfonyl)-1H,2H,3H-pyrrolo[2,3-b]quinoline
D470-0404 Screening compound: 1-(2H-1,3-benzodioxole-5-sulfonyl)-1H,2H,3H-pyrrolo[2,3-b]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-0404
1-(2H-1,3-benzodioxole-5-sulfonyl)-1H,2H,3H-pyrrolo[2,3-b]quinoline

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

D470-0404

Molecular Formula

C18H14N2O4S (C18 H14 N2 O4 S)

Compound Name

1-(2H-1,3-benzodioxole-5-sulfonyl)-1H,2H,3H-pyrrolo[2,3-b]quinoline

IUPAC name

1-(2H-13-benzodioxole-5-sulfonyl)-1H2H3H-pyrrolo[23-b]quinoline

SMILES

O=S(c(cc1)cc2c1OCO2)(N1c2nc3ccccc3cc2CC1)=O

InChI

InChI=1S/C18H14N2O4S/c21-25(22,14-5-6-16-17(10-14)24-11-23-16)20-8-7-13-9-12-3-1-2-4-15(12)19-18(13)20/h1-6,9-10H,7-8,11H2

InChI Key

GKUKZCPYOCLSGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10088690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.642

Distribution Coefficient, logD

3.642

Water Solubility, LogSw

-4.01

Polar Surface Area

58.486

Acid Dissociation Constant (pKa)

22.57

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D470-0404 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D470-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-0404?
Check Price and Availability of D470-0404, 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 D470-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-0404
  • 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 D470-0404 available by request