E950-0045 Screening compound: 1-{1H-pyrrolo[3,2-h]quinoline-2-carbonyl}-1,2,3,4-tetrahydroquinoline

E950-0045 Screening compound: 1-{1H-pyrrolo[3,2-h]quinoline-2-carbonyl}-1,2,3,4-tetrahydroquinoline
E950-0045 Screening compound: 1-{1H-pyrrolo[3,2-h]quinoline-2-carbonyl}-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound E950-0045
1-{1H-pyrrolo[3,2-h]quinoline-2-carbonyl}-1,2,3,4-tetrahydroquinoline

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

E950-0045

Molecular Formula

C21H17N3O (C21 H17 N3 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cc(ccc2cccnc22)c2[nH]1)N(CCC1)c2c1cccc2

InChI

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

InChI Key

UAJDOSVMSGLIIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14930202

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

4.211

Distribution Coefficient, logD

4.211

Water Solubility, LogSw

-3.96

Polar Surface Area

35.204

Acid Dissociation Constant (pKa)

16.37

Base Dissociation Constant (pKb)

4.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

E950-0045 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E950-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E950-0045?
Check Price and Availability of E950-0045, 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 E950-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E950-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E950-0045
  • 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 E950-0045 available by request