S272-2433 Screening compound: 4-(3-methoxyphenyl)-2-{[(oxolan-2-yl)methyl]amino}pyrimidine-5-carboxylic acid

S272-2433 Screening compound: 4-(3-methoxyphenyl)-2-{[(oxolan-2-yl)methyl]amino}pyrimidine-5-carboxylic acid
S272-2433 Screening compound: 4-(3-methoxyphenyl)-2-{[(oxolan-2-yl)methyl]amino}pyrimidine-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound S272-2433
4-(3-methoxyphenyl)-2-{[(oxolan-2-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

S272-2433

Molecular Formula

C17H19N3O4 (C17 H19 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(-c(nc(NCC2OCCC2)nc2)c2C(O)=O)c1

InChI

InChI=1S/C17H19N3O4/c1-23-12-5-2-4-11(8-12)15-14(16(21)22)10-19-17(20-15)18-9-13-6-3-7-24-13/h2,4-5,8,10,13H,3,6-7,9H2,1H3,(H,21,22)(H,18,19,20)/t13-/m1/s1

InChI Key

BVQOJKSBUIOUQG-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD28995798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.326

Distribution Coefficient, logD

1.149

Water Solubility, LogSw

-2.64

Polar Surface Area

75.805

Acid Dissociation Constant (pKa)

6.25

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

S272-2433 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Cardiovascular Library (22201 compounds)

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S272-2433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S272-2433?
Check Price and Availability of S272-2433, 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 S272-2433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S272-2433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S272-2433
  • 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 S272-2433 available by request