Y043-8125 Screening compound: (2S,3S)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methyl-2-(1H-1,2,3,4-tetraazol-1-yl)pentanamide

Y043-8125 Screening compound: (2S,3S)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methyl-2-(1H-1,2,3,4-tetraazol-1-yl)pentanamide
Y043-8125 Screening compound: (2S,3S)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methyl-2-(1H-1,2,3,4-tetraazol-1-yl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-8125
(2S,3S)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methyl-2-(1H-1,2,3,4-tetraazol-1-yl)pentanamide

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

Y043-8125

Molecular Formula

C20H23N7O2S (C20 H23 N7 O2 S)

Compound Name

(2S,3S)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methyl-2-(1H-1,2,3,4-tetraazol-1-yl)pentanamide

IUPAC name

(2S3S)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-13-thiazol-2-yl]-3-methyl-2-(1H-1234-tetrazol-1-yl)pentanamide

SMILES

CC[C@H](C)[C@@H](C(Nc1nc(-c2c(C)[nH]c(cc3)c2cc3OC)cs1)=O)n1nnnc1

InChI

InChI=1S/C20H23N7O2S/c1-5-11(2)18(27-10-21-25-26-27)19(28)24-20-23-16(9-30-20)17-12(3)22-15-7-6-13(29-4)8-14(15)17/h6-11,18,22H,5H2,1-4H3,(H,23,24,28)/t11-,18-/m0/s1

InChI Key

NPXKEPLDAITAEU-VOJFVSQTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.878

Distribution Coefficient, logD

3.878

Water Solubility, LogSw

-4.35

Polar Surface Area

90.184

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.00

Y043-8125 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with Y043-8125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-8125?
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What is the minimum amount of Y043-8125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-8125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-8125
  • 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 Y043-8125 available by request