Y041-3399 Screening compound: 2-chloro-N-[(4-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)benzamide

Y041-3399 Screening compound: 2-chloro-N-[(4-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)benzamide
Y041-3399 Screening compound: 2-chloro-N-[(4-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3399
2-chloro-N-[(4-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)benzamide

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

Y041-3399

Molecular Formula

C19H17ClN2O2 (C19 H17 ClN2 O2)

Compound Name

2-chloro-N-[(4-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)benzamide

IUPAC name

2-chloro-N-[(4-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)benzamide

SMILES

COc1ccc(CNC(c(cc(cc2)-n3cccc3)c2Cl)=O)cc1

InChI

InChI=1S/C19H17ClN2O2/c1-24-16-7-4-14(5-8-16)13-21-19(23)17-12-15(6-9-18(17)20)22-10-2-3-11-22/h2-12H,13H2,1H3,(H,21,23)

InChI Key

AKQUPQQDJAXSBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12214602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.81

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.334

Distribution Coefficient, logD

4.334

Water Solubility, LogSw

-4.66

Polar Surface Area

36.181

Acid Dissociation Constant (pKa)

11.90

Base Dissociation Constant (pKb)

-4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

Y041-3399 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y041-3399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3399?
Check Price and Availability of Y041-3399, 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 Y041-3399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3399
  • 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 Y041-3399 available by request