E950-0099 Screening compound: N-[2-(pyrrolidin-1-yl)ethyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide

E950-0099 Screening compound: N-[2-(pyrrolidin-1-yl)ethyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide
E950-0099 Screening compound: N-[2-(pyrrolidin-1-yl)ethyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E950-0099
N-[2-(pyrrolidin-1-yl)ethyl]-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

E950-0099

Molecular Formula

C18H20N4O (C18 H20 N4 O)

Compound Name

N-[2-(pyrrolidin-1-yl)ethyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide

IUPAC name

N-[2-(pyrrolidin-1-yl)ethyl]-1H-pyrrolo[32-h]quinoline-2-carboxamide

SMILES

O=C(c1cc(ccc2cccnc22)c2[nH]1)NCCN1CCCC1

InChI

InChI=1S/C18H20N4O/c23-18(20-8-11-22-9-1-2-10-22)15-12-14-6-5-13-4-3-7-19-16(13)17(14)21-15/h3-7,12,21H,1-2,8-11H2,(H,20,23)

InChI Key

WQNKXIOHSTWMCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14930228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.165

Distribution Coefficient, logD

0.432

Water Solubility, LogSw

-2.79

Polar Surface Area

48.495

Acid Dissociation Constant (pKa)

13.33

Base Dissociation Constant (pKb)

9.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E950-0099 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E950-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E950-0099?
Check Price and Availability of E950-0099, 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 E950-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E950-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E950-0099
  • 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 E950-0099 available by request