C561-2679 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-2-(pyrrolidin-1-yl)pyrimidine-5-carboxamide

C561-2679 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-2-(pyrrolidin-1-yl)pyrimidine-5-carboxamide
C561-2679 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-2-(pyrrolidin-1-yl)pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2679
N-[2-(1H-indol-3-yl)ethyl]-2-(pyrrolidin-1-yl)pyrimidine-5-carboxamide

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

C561-2679

Molecular Formula

C19H21N5O (C19 H21 N5 O)

Compound Name

N-[2-(1H-indol-3-yl)ethyl]-2-(pyrrolidin-1-yl)pyrimidine-5-carboxamide

IUPAC name

N-[2-(1H-indol-3-yl)ethyl]-2-(pyrrolidin-1-yl)pyrimidine-5-carboxamide

SMILES

O=C(c1cnc(N2CCCC2)nc1)NCCc1c[nH]c2c1cccc2

InChI

InChI=1S/C19H21N5O/c25-18(15-12-22-19(23-13-15)24-9-3-4-10-24)20-8-7-14-11-21-17-6-2-1-5-16(14)17/h1-2,5-6,11-13,21H,3-4,7-10H2,(H,20,25)

InChI Key

DGIKGONEMMMMQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.283

Distribution Coefficient, logD

2.283

Water Solubility, LogSw

-2.57

Polar Surface Area

56.724

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

C561-2679 in Drug Discovery

Included in Screening Libraries

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

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C561-2679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2679?
Check Price and Availability of C561-2679, 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 C561-2679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2679
  • 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 C561-2679 available by request