2001-0017 Screening compound: 3-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]propanoic acid

2001-0017 Screening compound: 3-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]propanoic acid
2001-0017 Screening compound: 3-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2001-0017
3-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]propanoic 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

2001-0017

Molecular Formula

C9H12N2O2S (C9 H12 N2 O2 S)

Compound Name

3-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]propanoic acid

IUPAC name

3-[(46-dimethylpyrimidin-2-yl)sulfanyl]propanoic acid

SMILES

Cc1nc(SCCC(O)=O)nc(C)c1

InChI

InChI=1S/C9H12N2O2S/c1-6-5-7(2)11-9(10-6)14-4-3-8(12)13/h5H,3-4H2,1-2H3,(H,12,13)

InChI Key

MULFLAMWNBZYLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00457968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

212.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.921

Distribution Coefficient, logD

-1.774

Water Solubility, LogSw

-1.52

Polar Surface Area

45.528

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

2001-0017 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Immune system
Targets:
  • Proteases
  • Others

References: we are preparing a list of scientific research reports with 2001-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2001-0017?
Check Price and Availability of 2001-0017, 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 2001-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2001-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2001-0017
  • 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 2001-0017 available by request