Y200-5790 Screening compound: 2-{2-oxo-2-[4-(1H-1,2,4-triazol-1-ylmethyl)anilino]ethoxy}acetic acid

Y200-5790 Screening compound: 2-{2-oxo-2-[4-(1H-1,2,4-triazol-1-ylmethyl)anilino]ethoxy}acetic acid
Y200-5790 Screening compound: 2-{2-oxo-2-[4-(1H-1,2,4-triazol-1-ylmethyl)anilino]ethoxy}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-5790
2-{2-oxo-2-[4-(1H-1,2,4-triazol-1-ylmethyl)anilino]ethoxy}acetic 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

Y200-5790

Molecular Formula

C13H14N4O4 (C13 H14 N4 O4)

Compound Name

2-{2-oxo-2-[4-(1H-1,2,4-triazol-1-ylmethyl)anilino]ethoxy}acetic acid

IUPAC name

2-[({4-[(1H-124-triazol-1-yl)methyl]phenyl}carbamoyl)methoxy]acetic acid

SMILES

OC(COCC(Nc1ccc(Cn2ncnc2)cc1)=O)=O

InChI

InChI=1S/C13H14N4O4/c18-12(6-21-7-13(19)20)16-11-3-1-10(2-4-11)5-17-9-14-8-15-17/h1-4,8-9H,5-7H2,(H,16,18)(H,19,20)

InChI Key

CXNNMDBTGKMMID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07625982

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.28

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.581

Distribution Coefficient, logD

-4.110

Water Solubility, LogSw

-1.56

Polar Surface Area

85.183

Acid Dissociation Constant (pKa)

3.87

Base Dissociation Constant (pKb)

1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

Y200-5790 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y200-5790 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-5790?
Check Price and Availability of Y200-5790, 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 Y200-5790 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-5790
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-5790
  • 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 Y200-5790 available by request