Y040-5235 Screening compound: methyl 3-(1H-indol-3-yl)-2-{[3-(1H-1,2,3,4-tetrazol-1-yl)phenyl]formamido}propanoate

Y040-5235 Screening compound: methyl 3-(1H-indol-3-yl)-2-{[3-(1H-1,2,3,4-tetrazol-1-yl)phenyl]formamido}propanoate
Y040-5235 Screening compound: methyl 3-(1H-indol-3-yl)-2-{[3-(1H-1,2,3,4-tetrazol-1-yl)phenyl]formamido}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5235
methyl 3-(1H-indol-3-yl)-2-{[3-(1H-1,2,3,4-tetrazol-1-yl)phenyl]formamido}propanoate

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

Y040-5235

Molecular Formula

C20H18N6O3 (C20 H18 N6 O3)

Compound Name

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

IUPAC name

methyl (2S)-3-(1H-indol-3-yl)-2-{[3-(1H-1234-tetrazol-1-yl)phenyl]formamido}propanoate

SMILES

COC(C(Cc1c[nH]c2c1cccc2)NC(c1cc(-n2nnnc2)ccc1)=O)=O

InChI

InChI=1S/C20H18N6O3/c1-29-20(28)18(10-14-11-21-17-8-3-2-7-16(14)17)23-19(27)13-5-4-6-15(9-13)26-12-22-24-25-26/h2-9,11-12,18,21H,10H2,1H3,(H,23,27)/t18-/m0/s1

InChI Key

ZSFRFNGRVYRJOV-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.048

Distribution Coefficient, logD

2.048

Water Solubility, LogSw

-2.92

Polar Surface Area

95.092

Acid Dissociation Constant (pKa)

11.70

Base Dissociation Constant (pKb)

-2.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

Y040-5235 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Indole Derivatives (10091 compounds)

Integrin Receptors Targeted library (1715 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y040-5235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5235?
Check Price and Availability of Y040-5235, 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 Y040-5235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5235
  • 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 Y040-5235 available by request