S272-2095 Screening compound: 2-{[(4-methoxyphenyl)methyl]amino}-4-(propan-2-yl)pyrimidine-5-carboxylic acid

S272-2095 Screening compound: 2-{[(4-methoxyphenyl)methyl]amino}-4-(propan-2-yl)pyrimidine-5-carboxylic acid
S272-2095 Screening compound: 2-{[(4-methoxyphenyl)methyl]amino}-4-(propan-2-yl)pyrimidine-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound S272-2095
2-{[(4-methoxyphenyl)methyl]amino}-4-(propan-2-yl)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

S272-2095

Molecular Formula

C16H19N3O3 (C16 H19 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c(nc(NCc(cc1)ccc1OC)nc1)c1C(O)=O

InChI

InChI=1S/C16H19N3O3/c1-10(2)14-13(15(20)21)9-18-16(19-14)17-8-11-4-6-12(22-3)7-5-11/h4-7,9-10H,8H2,1-3H3,(H,20,21)(H,17,18,19)

InChI Key

PVVNFZATUWDPIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28995783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.163

Distribution Coefficient, logD

2.319

Water Solubility, LogSw

-3.22

Polar Surface Area

67.422

Acid Dissociation Constant (pKa)

6.62

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

S272-2095 in Drug Discovery

Included in Screening Libraries

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

Anti-Aging Library (44940 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with S272-2095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S272-2095?
Check Price and Availability of S272-2095, 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 S272-2095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S272-2095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S272-2095
  • 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 S272-2095 available by request