2188-0275 Screening compound: 2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-2-phenylacetic acid

2188-0275 Screening compound: 2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-2-phenylacetic acid
2188-0275 Screening compound: 2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-2-phenylacetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2188-0275
2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-2-phenylacetic 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

2188-0275

Molecular Formula

C13H12N2O3S (C13 H12 N2 O3 S)

Compound Name

2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-2-phenylacetic acid

IUPAC name

2-[(4-methyl-6-oxo-16-dihydropyrimidin-2-yl)sulfanyl]-2-phenylacetic acid

SMILES

CC(N=C(N1)SC(C(O)=O)c2ccccc2)=CC1=O

InChI

InChI=1S/C13H12N2O3S/c1-8-7-10(16)15-13(14-8)19-11(12(17)18)9-5-3-2-4-6-9/h2-7,11H,1H3,(H,17,18)(H,14,15,16)/t11-/m1/s1

InChI Key

PUCLDVOIXVHDFG-LLVKDONJSA-N

MDL Number (MFCD)

MFCD01097983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.450

Distribution Coefficient, logD

-1.119

Water Solubility, LogSw

-2.10

Polar Surface Area

62.708

Acid Dissociation Constant (pKa)

4.83

Base Dissociation Constant (pKb)

0.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

2188-0275 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with 2188-0275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2188-0275?
Check Price and Availability of 2188-0275, 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 2188-0275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2188-0275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2188-0275
  • 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 2188-0275 available by request