E950-0145 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide

E950-0145 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide
E950-0145 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E950-0145
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide

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

E950-0145

Molecular Formula

C20H15N3O3 (C20 H15 N3 O3)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-1H-pyrrolo[32-h]quinoline-2-carboxamide

SMILES

O=C(c1cc(ccc2cccnc22)c2[nH]1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C20H15N3O3/c24-20(22-10-12-3-6-16-17(8-12)26-11-25-16)15-9-14-5-4-13-2-1-7-21-18(13)19(14)23-15/h1-9,23H,10-11H2,(H,22,24)

InChI Key

RCBSSPKWCQIQKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27094082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.263

Distribution Coefficient, logD

3.263

Water Solubility, LogSw

-3.28

Polar Surface Area

61.420

Acid Dissociation Constant (pKa)

14.05

Base Dissociation Constant (pKb)

4.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

E950-0145 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Immunological Library (6760 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Targeted Diversity Library (40567 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E950-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E950-0145?
Check Price and Availability of E950-0145, 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 E950-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E950-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E950-0145
  • 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 E950-0145 available by request