4052-1422 Screening compound: 3-{[5-(methoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}propanoic acid

4052-1422 Screening compound: 3-{[5-(methoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}propanoic acid
4052-1422 Screening compound: 3-{[5-(methoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4052-1422
3-{[5-(methoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}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

4052-1422

Molecular Formula

C10H12N2O5S (C10 H12 N2 O5 S)

Compound Name

3-{[5-(methoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}propanoic acid

IUPAC name

3-{[5-(methoxycarbonyl)-4-methyl-13-thiazol-2-yl]carbamoyl}propanoic acid

SMILES

Cc1c(C(OC)=O)sc(NC(CCC(O)=O)=O)n1

InChI

InChI=1S/C10H12N2O5S/c1-5-8(9(16)17-2)18-10(11-5)12-6(13)3-4-7(14)15/h3-4H2,1-2H3,(H,14,15)(H,11,12,13)

InChI Key

HFHFIPPEYFLESS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02704324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.28

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.489

Distribution Coefficient, logD

-2.460

Water Solubility, LogSw

-1.60

Polar Surface Area

83.569

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

4052-1422 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Arginase Targeted Library (2009 compounds)

STING Agonist Library (5895 compounds)

Soluble Diversity Library (15920 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
  • Cancer
  • Immune system
Targets:
  • Others
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4052-1422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4052-1422?
Check Price and Availability of 4052-1422, 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 4052-1422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4052-1422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4052-1422
  • 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 4052-1422 available by request