S272-2786 Screening compound: 4-(pyridin-3-yl)-2-{[(pyridin-3-yl)methyl]amino}pyrimidine-5-carboxylic acid

S272-2786 Screening compound: 4-(pyridin-3-yl)-2-{[(pyridin-3-yl)methyl]amino}pyrimidine-5-carboxylic acid
S272-2786 Screening compound: 4-(pyridin-3-yl)-2-{[(pyridin-3-yl)methyl]amino}pyrimidine-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound S272-2786
4-(pyridin-3-yl)-2-{[(pyridin-3-yl)methyl]amino}pyrimidine-5-carboxylic acid

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

S272-2786

Molecular Formula

C16H13N5O2 (C16 H13 N5 O2)

Compound Name

4-(pyridin-3-yl)-2-{[(pyridin-3-yl)methyl]amino}pyrimidine-5-carboxylic acid

IUPAC name

4-(pyridin-3-yl)-2-{[(pyridin-3-yl)methyl]amino}pyrimidine-5-carboxylic acid

SMILES

OC(c1c(-c2cnccc2)nc(NCc2cnccc2)nc1)=O

InChI

InChI=1S/C16H13N5O2/c22-15(23)13-10-20-16(19-8-11-3-1-5-17-7-11)21-14(13)12-4-2-6-18-9-12/h1-7,9-10H,8H2,(H,22,23)(H,19,20,21)

InChI Key

QZRZYDNVSLAALK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28995731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.852

Distribution Coefficient, logD

0.128

Water Solubility, LogSw

-1.44

Polar Surface Area

78.643

Acid Dissociation Constant (pKa)

6.77

Base Dissociation Constant (pKb)

6.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

S272-2786 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

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 S272-2786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S272-2786?
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What is the minimum amount of S272-2786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S272-2786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S272-2786
  • 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 S272-2786 available by request