Y041-4493 Screening compound: 2-{2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]acetamido}-3-(1H-indol-3-yl)propanoic acid

Y041-4493 Screening compound: 2-{2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]acetamido}-3-(1H-indol-3-yl)propanoic acid
Y041-4493 Screening compound: 2-{2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]acetamido}-3-(1H-indol-3-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4493
2-{2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]acetamido}-3-(1H-indol-3-yl)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

Y041-4493

Molecular Formula

C22H17Cl2N3O3S (C22 H17 Cl2 N3 O3 S)

Compound Name

2-{2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]acetamido}-3-(1H-indol-3-yl)propanoic acid

IUPAC name

(2S)-2-{2-[2-(26-dichlorophenyl)-13-thiazol-4-yl]acetamido}-3-(1H-indol-3-yl)propanoic acid

SMILES

OC([C@H](Cc1c[nH]c2c1cccc2)NC(Cc1csc(-c(c(Cl)ccc2)c2Cl)n1)=O)=O

InChI

InChI=1S/C22H17Cl2N3O3S/c23-15-5-3-6-16(24)20(15)21-26-13(11-31-21)9-19(28)27-18(22(29)30)8-12-10-25-17-7-2-1-4-14(12)17/h1-7,10-11,18,25H,8-9H2,(H,27,28)(H,29,30)/t18-/m0/s1

InChI Key

BVXQBQAHSBWEJC-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.706

Distribution Coefficient, logD

0.115

Water Solubility, LogSw

-4.10

Polar Surface Area

72.577

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

Y041-4493 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCL1 Targeted Library (12200 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Agro:
  • Agro
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y041-4493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4493?
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What is the minimum amount of Y041-4493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4493
  • 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 Y041-4493 available by request