Y044-3755 Screening compound: N~1~-[4-(aminosulfonyl)benzyl]-3-(3-methyl-2,5-dioxo-3-phenyl-1-pyrrolidinyl)propanamide

Y044-3755 Screening compound: N~1~-[4-(aminosulfonyl)benzyl]-3-(3-methyl-2,5-dioxo-3-phenyl-1-pyrrolidinyl)propanamide
Y044-3755 Screening compound: N~1~-[4-(aminosulfonyl)benzyl]-3-(3-methyl-2,5-dioxo-3-phenyl-1-pyrrolidinyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-3755
N~1~-[4-(aminosulfonyl)benzyl]-3-(3-methyl-2,5-dioxo-3-phenyl-1-pyrrolidinyl)propanamide

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

Y044-3755

Molecular Formula

C21H23N3O5S (C21 H23 N3 O5 S)

Compound Name

N~1~-[4-(aminosulfonyl)benzyl]-3-(3-methyl-2,5-dioxo-3-phenyl-1-pyrrolidinyl)propanamide

IUPAC name

3-(3-methyl-25-dioxo-3-phenylpyrrolidin-1-yl)-N-[(4-sulfamoylphenyl)methyl]propanamide

SMILES

CC(CC(N1CCC(NCc(cc2)ccc2S(N)(=O)=O)=O)=O)(C1=O)c1ccccc1

InChI

InChI=1S/C21H23N3O5S/c1-21(16-5-3-2-4-6-16)13-19(26)24(20(21)27)12-11-18(25)23-14-15-7-9-17(10-8-15)30(22,28)29/h2-10H,11-14H2,1H3,(H,23,25)(H2,22,28,29)/t21-/m1/s1

InChI Key

WKBKKTCKFLNOOF-OAQYLSRUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.502

Distribution Coefficient, logD

0.501

Water Solubility, LogSw

-2.08

Polar Surface Area

104.822

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-3.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

Y044-3755 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 Y044-3755 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-3755?
Check Price and Availability of Y044-3755, 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 Y044-3755 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-3755
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-3755
  • 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 Y044-3755 available by request