D470-0328 Screening compound: 1-cyclohexanecarbonyl-1H,2H,3H-pyrrolo[2,3-b]quinoline

D470-0328 Screening compound: 1-cyclohexanecarbonyl-1H,2H,3H-pyrrolo[2,3-b]quinoline
D470-0328 Screening compound: 1-cyclohexanecarbonyl-1H,2H,3H-pyrrolo[2,3-b]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-0328
1-cyclohexanecarbonyl-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

D470-0328

Molecular Formula

C18H20N2O (C18 H20 N2 O)

Compound Name

1-cyclohexanecarbonyl-1H,2H,3H-pyrrolo[2,3-b]quinoline

IUPAC name

1-cyclohexanecarbonyl-1H2H3H-pyrrolo[23-b]quinoline

SMILES

O=C(C1CCCCC1)N1c2nc3ccccc3cc2CC1

InChI

InChI=1S/C18H20N2O/c21-18(13-6-2-1-3-7-13)20-11-10-15-12-14-8-4-5-9-16(14)19-17(15)20/h4-5,8-9,12-13H,1-3,6-7,10-11H2

InChI Key

JLNQKVQJTUGEHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10088635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.277

Distribution Coefficient, logD

4.277

Water Solubility, LogSw

-4.32

Polar Surface Area

25.723

Acid Dissociation Constant (pKa)

21.91

Base Dissociation Constant (pKb)

3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

D470-0328 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D470-0328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-0328?
Check Price and Availability of D470-0328, 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 D470-0328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-0328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-0328
  • 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 D470-0328 available by request