C561-2688 Screening compound: N-[4-(FURAN-2-YL)BUTAN-2-YL]-2-(PYRROLIDIN-1-YL)PYRIMIDINE-5-CARBOXAMIDE

C561-2688 Screening compound: N-[4-(FURAN-2-YL)BUTAN-2-YL]-2-(PYRROLIDIN-1-YL)PYRIMIDINE-5-CARBOXAMIDE
C561-2688 Screening compound: N-[4-(FURAN-2-YL)BUTAN-2-YL]-2-(PYRROLIDIN-1-YL)PYRIMIDINE-5-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2688
N-[4-(FURAN-2-YL)BUTAN-2-YL]-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

C561-2688

Molecular Formula

C17H22N4O2 (C17 H22 N4 O2)

Compound Name

N-[4-(FURAN-2-YL)BUTAN-2-YL]-2-(PYRROLIDIN-1-YL)PYRIMIDINE-5-CARBOXAMIDE

IUPAC name

n/a

SMILES

CC(CCc1ccco1)NC(c1cnc(N2CCCC2)nc1)=O

InChI

InChI=1S/C17H22N4O2/c1-13(6-7-15-5-4-10-23-15)20-16(22)14-11-18-17(19-12-14)21-8-2-3-9-21/h4-5,10-13H,2-3,6-9H2,1H3,(H,20,22)/t13-/m0/s1

InChI Key

SSCWDZPNYFZTEG-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14771637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.282

Distribution Coefficient, logD

2.282

Water Solubility, LogSw

-2.48

Polar Surface Area

54.202

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

8.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

C561-2688 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C561-2688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2688?
Check Price and Availability of C561-2688, 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 C561-2688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2688
  • 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 C561-2688 available by request