P188-0217 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{1-methyl-7-oxo-1H,6H,7H-pyrrolo[2,3-c]pyridin-6-yl}acetamide

P188-0217 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{1-methyl-7-oxo-1H,6H,7H-pyrrolo[2,3-c]pyridin-6-yl}acetamide
P188-0217 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{1-methyl-7-oxo-1H,6H,7H-pyrrolo[2,3-c]pyridin-6-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P188-0217
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{1-methyl-7-oxo-1H,6H,7H-pyrrolo[2,3-c]pyridin-6-yl}acetamide

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

P188-0217

Molecular Formula

C18H23N3O2 (C18 H23 N3 O2)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{1-methyl-7-oxo-1H,6H,7H-pyrrolo[2,3-c]pyridin-6-yl}acetamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{1-methyl-7-oxo-1H6H7H-pyrrolo[23-c]pyridin-6-yl}acetamide

SMILES

Cn(cc1)c2c1C=CN(CC(NCCC1=CCCCC1)=O)C2=O

InChI

InChI=1S/C18H23N3O2/c1-20-11-8-15-9-12-21(18(23)17(15)20)13-16(22)19-10-7-14-5-3-2-4-6-14/h5,8-9,11-12H,2-4,6-7,10,13H2,1H3,(H,19,22)

InChI Key

PTYCRYKAHJAZKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29021799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.164

Distribution Coefficient, logD

1.164

Water Solubility, LogSw

-2.06

Polar Surface Area

42.991

Acid Dissociation Constant (pKa)

15.44

Base Dissociation Constant (pKb)

0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

P188-0217 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Bromodomain Modulators Library (5801 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with P188-0217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P188-0217?
Check Price and Availability of P188-0217, 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 P188-0217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P188-0217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P188-0217
  • 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 P188-0217 available by request