Y200-5804 Screening compound: 3-methyl-4-({4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}carbamoyl)butanoic acid

Y200-5804 Screening compound: 3-methyl-4-({4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}carbamoyl)butanoic acid
Y200-5804 Screening compound: 3-methyl-4-({4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}carbamoyl)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-5804
3-methyl-4-({4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}carbamoyl)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

Y200-5804

Molecular Formula

C15H18N4O3 (C15 H18 N4 O3)

Compound Name

3-methyl-4-({4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}carbamoyl)butanoic acid

IUPAC name

3-methyl-4-({4-[(1H-124-triazol-1-yl)methyl]phenyl}carbamoyl)butanoic acid

SMILES

CC(CC(Nc1ccc(Cn2ncnc2)cc1)=O)CC(O)=O

InChI

InChI=1S/C15H18N4O3/c1-11(7-15(21)22)6-14(20)18-13-4-2-12(3-5-13)8-19-10-16-9-17-19/h2-5,9-11H,6-8H2,1H3,(H,18,20)(H,21,22)/t11-/m0/s1

InChI Key

CYCHRHPBMWTCJC-NSHDSACASA-N

MDL Number (MFCD)

MFCD07625983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.468

Distribution Coefficient, logD

-2.098

Water Solubility, LogSw

-1.63

Polar Surface Area

76.748

Acid Dissociation Constant (pKa)

4.83

Base Dissociation Constant (pKb)

1.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

Y200-5804 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

CORONAVIRUS Library (20774 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y200-5804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-5804?
Check Price and Availability of Y200-5804, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y200-5804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-5804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-5804
  • 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 Y200-5804 available by request