E950-0231 Screening compound: 2-{1H-pyrrolo[3,2-h]quinoline-2-carbonyl}-1,2,3,4-tetrahydroisoquinoline

E950-0231 Screening compound: 2-{1H-pyrrolo[3,2-h]quinoline-2-carbonyl}-1,2,3,4-tetrahydroisoquinoline
E950-0231 Screening compound: 2-{1H-pyrrolo[3,2-h]quinoline-2-carbonyl}-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound E950-0231
2-{1H-pyrrolo[3,2-h]quinoline-2-carbonyl}-1,2,3,4-tetrahydroisoquinoline

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

E950-0231

Molecular Formula

C21H17N3O (C21 H17 N3 O)

Compound Name

2-{1H-pyrrolo[3,2-h]quinoline-2-carbonyl}-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-{1H-pyrrolo[32-h]quinoline-2-carbonyl}-1234-tetrahydroisoquinoline

SMILES

O=C(c1cc(ccc2cccnc22)c2[nH]1)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C21H17N3O/c25-21(24-11-9-14-4-1-2-5-17(14)13-24)18-12-16-8-7-15-6-3-10-22-19(15)20(16)23-18/h1-8,10,12,23H,9,11,13H2

InChI Key

IDDWCPZVTYHPCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14930289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.814

Distribution Coefficient, logD

3.813

Water Solubility, LogSw

-3.83

Polar Surface Area

36.201

Acid Dissociation Constant (pKa)

15.37

Base Dissociation Constant (pKb)

4.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

E950-0231 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E950-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E950-0231?
Check Price and Availability of E950-0231, 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 E950-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E950-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E950-0231
  • 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 E950-0231 available by request