Y043-8120 Screening compound: methyl 5-isopropyl-2-{[(2S,3S)-3-methyl-2-(1H-1,2,3,4-tetraazol-1-yl)pentanoyl]amino}-1,3-thiazole-4-carboxylate

Y043-8120 Screening compound: methyl 5-isopropyl-2-{[(2S,3S)-3-methyl-2-(1H-1,2,3,4-tetraazol-1-yl)pentanoyl]amino}-1,3-thiazole-4-carboxylate
Y043-8120 Screening compound: methyl 5-isopropyl-2-{[(2S,3S)-3-methyl-2-(1H-1,2,3,4-tetraazol-1-yl)pentanoyl]amino}-1,3-thiazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-8120
methyl 5-isopropyl-2-{[(2S,3S)-3-methyl-2-(1H-1,2,3,4-tetraazol-1-yl)pentanoyl]amino}-1,3-thiazole-4-carboxylate

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

Y043-8120

Molecular Formula

C15H22N6O3S (C15 H22 N6 O3 S)

Compound Name

methyl 5-isopropyl-2-{[(2S,3S)-3-methyl-2-(1H-1,2,3,4-tetraazol-1-yl)pentanoyl]amino}-1,3-thiazole-4-carboxylate

IUPAC name

methyl 2-[(2S3S)-3-methyl-2-(1H-1234-tetrazol-1-yl)pentanamido]-5-(propan-2-yl)-13-thiazole-4-carboxylate

SMILES

CC[C@H](C)[C@@H](C(Nc1nc(C(OC)=O)c(C(C)C)s1)=O)n1nnnc1

InChI

InChI=1S/C15H22N6O3S/c1-6-9(4)11(21-7-16-19-20-21)13(22)18-15-17-10(14(23)24-5)12(25-15)8(2)3/h7-9,11H,6H2,1-5H3,(H,17,18,22)/t9-,11-/m0/s1

InChI Key

KNPGSECISXZNED-ONGXEEELSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.790

Distribution Coefficient, logD

2.636

Water Solubility, LogSw

-3.25

Polar Surface Area

94.930

Acid Dissociation Constant (pKa)

7.77

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.00

Y043-8120 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y043-8120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-8120?
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What is the minimum amount of Y043-8120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-8120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-8120
  • 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 Y043-8120 available by request