Y040-5307 Screening compound: methyl 2-{[4-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)phenyl]formamido}-4-methylpentanoate

Y040-5307 Screening compound: methyl 2-{[4-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)phenyl]formamido}-4-methylpentanoate
Y040-5307 Screening compound: methyl 2-{[4-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)phenyl]formamido}-4-methylpentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5307
methyl 2-{[4-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)phenyl]formamido}-4-methylpentanoate

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

Y040-5307

Molecular Formula

C15H18ClN5O3 (C15 H18 ClN5 O3)

Compound Name

methyl 2-{[4-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)phenyl]formamido}-4-methylpentanoate

IUPAC name

methyl (2S)-2-{[4-chloro-2-(1H-1234-tetrazol-1-yl)phenyl]formamido}-4-methylpentanoate

SMILES

CC(C)CC(C(OC)=O)NC(c(ccc(Cl)c1)c1-n1nnnc1)=O

InChI

InChI=1S/C15H18ClN5O3/c1-9(2)6-12(15(23)24-3)18-14(22)11-5-4-10(16)7-13(11)21-8-17-19-20-21/h4-5,7-9,12H,6H2,1-3H3,(H,18,22)/t12-/m0/s1

InChI Key

VHXUUMAIDWOMDJ-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.79

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.683

Distribution Coefficient, logD

2.683

Water Solubility, LogSw

-3.62

Polar Surface Area

85.192

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

-3.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

Y040-5307 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y040-5307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5307?
Check Price and Availability of Y040-5307, 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 Y040-5307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5307
  • 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 Y040-5307 available by request