Y043-3029 Screening compound: 4-{[5-({[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}carbonyl)-4-methyl-1,3-thiazol-2-yl]amino}-4-oxobutanoic acid

Y043-3029 Screening compound: 4-{[5-({[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}carbonyl)-4-methyl-1,3-thiazol-2-yl]amino}-4-oxobutanoic acid
Y043-3029 Screening compound: 4-{[5-({[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}carbonyl)-4-methyl-1,3-thiazol-2-yl]amino}-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-3029
4-{[5-({[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}carbonyl)-4-methyl-1,3-thiazol-2-yl]amino}-4-oxobutanoic 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

Y043-3029

Molecular Formula

C20H22N4O5S (C20 H22 N4 O5 S)

Compound Name

4-{[5-({[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}carbonyl)-4-methyl-1,3-thiazol-2-yl]amino}-4-oxobutanoic acid

IUPAC name

3-[(5-{[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamoyl}-4-methyl-13-thiazol-2-yl)carbamoyl]propanoic acid

SMILES

Cc1c(C(NCCc2c[nH]c(cc3)c2cc3OC)=O)sc(NC(CCC(O)=O)=O)n1

InChI

InChI=1S/C20H22N4O5S/c1-11-18(30-20(23-11)24-16(25)5-6-17(26)27)19(28)21-8-7-12-10-22-15-4-3-13(29-2)9-14(12)15/h3-4,9-10,22H,5-8H2,1-2H3,(H,21,28)(H,26,27)(H,23,24,25)

InChI Key

RPRGRLYIGSKMKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27962258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.652

Distribution Coefficient, logD

-1.297

Water Solubility, LogSw

-2.40

Polar Surface Area

104.064

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

4.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

Y043-3029 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Phosphatases

References: we are preparing a list of scientific research reports with Y043-3029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-3029?
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What is the minimum amount of Y043-3029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-3029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-3029
  • 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 Y043-3029 available by request