Y041-5250 Screening compound: 2-{2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamido}-3-methylpentanoic acid

Y041-5250 Screening compound: 2-{2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamido}-3-methylpentanoic acid
Y041-5250 Screening compound: 2-{2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamido}-3-methylpentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5250
2-{2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamido}-3-methylpentanoic 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

Y041-5250

Molecular Formula

C18H22N2O4S (C18 H22 N2 O4 S)

Compound Name

2-{2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamido}-3-methylpentanoic acid

IUPAC name

(2S3R)-2-{2-[2-(4-methoxyphenyl)-13-thiazol-4-yl]acetamido}-3-methylpentanoic acid

SMILES

CC[C@@H](C)[C@@H](C(O)=O)NC(Cc1csc(-c(cc2)ccc2OC)n1)=O

InChI

InChI=1S/C18H22N2O4S/c1-4-11(2)16(18(22)23)20-15(21)9-13-10-25-17(19-13)12-5-7-14(24-3)8-6-12/h5-8,10-11,16H,4,9H2,1-3H3,(H,20,21)(H,22,23)/t11-,16+/m1/s1

InChI Key

DAHZAIMJTUPCLN-BZNIZROVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.155

Distribution Coefficient, logD

-1.433

Water Solubility, LogSw

-2.65

Polar Surface Area

70.243

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.90

Y041-5250 in Drug Discovery

Included in Screening Libraries

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

Arginase Targeted Library (2009 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y041-5250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5250?
Check Price and Availability of Y041-5250, 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 Y041-5250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5250
  • 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 Y041-5250 available by request