D470-0330 Screening compound: 2,2-dimethyl-1-{1H,2H,3H-pyrrolo[2,3-b]quinolin-1-yl}propan-1-one

D470-0330 Screening compound: 2,2-dimethyl-1-{1H,2H,3H-pyrrolo[2,3-b]quinolin-1-yl}propan-1-one
D470-0330 Screening compound: 2,2-dimethyl-1-{1H,2H,3H-pyrrolo[2,3-b]quinolin-1-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-0330
2,2-dimethyl-1-{1H,2H,3H-pyrrolo[2,3-b]quinolin-1-yl}propan-1-one

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

D470-0330

Molecular Formula

C16H18N2O (C16 H18 N2 O)

Compound Name

2,2-dimethyl-1-{1H,2H,3H-pyrrolo[2,3-b]quinolin-1-yl}propan-1-one

IUPAC name

22-dimethyl-1-{1H2H3H-pyrrolo[23-b]quinolin-1-yl}propan-1-one

SMILES

CC(C)(C)C(N1c2nc3ccccc3cc2CC1)=O

InChI

InChI=1S/C16H18N2O/c1-16(2,3)15(19)18-9-8-12-10-11-6-4-5-7-13(11)17-14(12)18/h4-7,10H,8-9H2,1-3H3

InChI Key

YUNNOMCIAFZGID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10088636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

254.33

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

3.727

Distribution Coefficient, logD

3.727

Water Solubility, LogSw

-3.99

Polar Surface Area

25.802

Acid Dissociation Constant (pKa)

22.52

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

D470-0330 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Soluble Diversity Library (15920 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D470-0330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-0330?
Check Price and Availability of D470-0330, 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 D470-0330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-0330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-0330
  • 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 D470-0330 available by request