Y041-4718 Screening compound: 2-{2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamido}-4-(methylsulfanyl)butanoic acid

Y041-4718 Screening compound: 2-{2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamido}-4-(methylsulfanyl)butanoic acid
Y041-4718 Screening compound: 2-{2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamido}-4-(methylsulfanyl)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4718
2-{2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamido}-4-(methylsulfanyl)butanoic 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

Y041-4718

Molecular Formula

C17H20N2O4S2 (C17 H20 N2 O4 S2)

Compound Name

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

IUPAC name

(2S)-2-{2-[2-(4-methoxyphenyl)-13-thiazol-4-yl]acetamido}-4-(methylsulfanyl)butanoic acid

SMILES

COc(cc1)ccc1-c1nc(CC(NC(CCSC)C(O)=O)=O)cs1

InChI

InChI=1S/C17H20N2O4S2/c1-23-13-5-3-11(4-6-13)16-18-12(10-25-16)9-15(20)19-14(17(21)22)7-8-24-2/h3-6,10,14H,7-9H2,1-2H3,(H,19,20)(H,21,22)/t14-/m0/s1

InChI Key

BRCOECWKJPAGPQ-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.031

Distribution Coefficient, logD

-1.586

Water Solubility, LogSw

-2.53

Polar Surface Area

70.521

Acid Dissociation Constant (pKa)

3.78

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

Y041-4718 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular

References: we are preparing a list of scientific research reports with Y041-4718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4718?
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What is the minimum amount of Y041-4718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4718
  • 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 Y041-4718 available by request