Y041-3448 Screening compound: 1-(5-chloro-2-{1H,2H,3H,4H,5H-pyrido[4,3-b]indole-2-carbonyl}phenyl)-1H-1,2,3,4-tetrazole

Y041-3448 Screening compound: 1-(5-chloro-2-{1H,2H,3H,4H,5H-pyrido[4,3-b]indole-2-carbonyl}phenyl)-1H-1,2,3,4-tetrazole
Y041-3448 Screening compound: 1-(5-chloro-2-{1H,2H,3H,4H,5H-pyrido[4,3-b]indole-2-carbonyl}phenyl)-1H-1,2,3,4-tetrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3448
1-(5-chloro-2-{1H,2H,3H,4H,5H-pyrido[4,3-b]indole-2-carbonyl}phenyl)-1H-1,2,3,4-tetrazole

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

Y041-3448

Molecular Formula

C19H15ClN6O (C19 H15 ClN6 O)

Compound Name

1-(5-chloro-2-{1H,2H,3H,4H,5H-pyrido[4,3-b]indole-2-carbonyl}phenyl)-1H-1,2,3,4-tetrazole

IUPAC name

1-(5-chloro-2-{1H2H3H4H5H-pyrido[43-b]indole-2-carbonyl}phenyl)-1H-1234-tetrazole

SMILES

O=C(c(ccc(Cl)c1)c1-n1nnnc1)N(CC1)Cc2c1[nH]c1c2cccc1

InChI

InChI=1S/C19H15ClN6O/c20-12-5-6-14(18(9-12)26-11-21-23-24-26)19(27)25-8-7-17-15(10-25)13-3-1-2-4-16(13)22-17/h1-6,9,11,22H,7-8,10H2

InChI Key

FCCIAUFSTUIZJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20537667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.328

Distribution Coefficient, logD

2.328

Water Solubility, LogSw

-3.63

Polar Surface Area

66.863

Acid Dissociation Constant (pKa)

18.68

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

Y041-3448 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

DGK Inhibitors Library (10558 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y041-3448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3448?
Check Price and Availability of Y041-3448, 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 Y041-3448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3448
  • 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 Y041-3448 available by request