Y041-3893 Screening compound: methyl 3-{[4-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)phenyl]formamido}propanoate

Y041-3893 Screening compound: methyl 3-{[4-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)phenyl]formamido}propanoate
Y041-3893 Screening compound: methyl 3-{[4-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)phenyl]formamido}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3893
methyl 3-{[4-chloro-2-(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

Y041-3893

Molecular Formula

C12H12ClN5O3 (C12 H12 ClN5 O3)

Compound Name

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

IUPAC name

methyl 3-{[4-chloro-2-(1H-1234-tetrazol-1-yl)phenyl]formamido}propanoate

SMILES

COC(CCNC(c(ccc(Cl)c1)c1-n1nnnc1)=O)=O

InChI

InChI=1S/C12H12ClN5O3/c1-21-11(19)4-5-14-12(20)9-3-2-8(13)6-10(9)18-7-15-16-17-18/h2-3,6-7H,4-5H2,1H3,(H,14,20)

InChI Key

HNJQTJBCRNFCSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12206711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.71

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.156

Distribution Coefficient, logD

1.156

Water Solubility, LogSw

-2.85

Polar Surface Area

84.808

Acid Dissociation Constant (pKa)

13.41

Base Dissociation Constant (pKb)

-3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y041-3893 in Drug Discovery

Included in Screening Libraries

Integrin Receptors Targeted library (1715 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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
Targets:
  • Others
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y041-3893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3893?
Check Price and Availability of Y041-3893, 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 Y041-3893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3893
  • 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 Y041-3893 available by request