Y030-5996 Screening compound: N-[(4-chlorophenyl)methyl]-3,4-diethoxybenzamide

Y030-5996 Screening compound: N-[(4-chlorophenyl)methyl]-3,4-diethoxybenzamide
Y030-5996 Screening compound: N-[(4-chlorophenyl)methyl]-3,4-diethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-5996
N-[(4-chlorophenyl)methyl]-3,4-diethoxybenzamide

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

Y030-5996

Molecular Formula

C18H20ClNO3 (C18 H20 ClNO3)

Compound Name

N-[(4-chlorophenyl)methyl]-3,4-diethoxybenzamide

IUPAC name

N-[(4-chlorophenyl)methyl]-34-diethoxybenzamide

SMILES

CCOc(ccc(C(NCc(cc1)ccc1Cl)=O)c1)c1OCC

InChI

InChI=1S/C18H20ClNO3/c1-3-22-16-10-7-14(11-17(16)23-4-2)18(21)20-12-13-5-8-15(19)9-6-13/h5-11H,3-4,12H2,1-2H3,(H,20,21)

InChI Key

NRMCIOQJRMCQHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03575635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.397

Distribution Coefficient, logD

3.397

Water Solubility, LogSw

-3.85

Polar Surface Area

39.072

Acid Dissociation Constant (pKa)

12.19

Base Dissociation Constant (pKb)

-4.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

Y030-5996 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

STING Agonist Library (5895 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Others
  • Proteases

References: we are preparing a list of scientific research reports with Y030-5996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-5996?
Check Price and Availability of Y030-5996, 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 Y030-5996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-5996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-5996
  • 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 Y030-5996 available by request