Y042-1573 Screening compound: N-[4-(aminosulfonyl)benzyl]-3-[(4S)-1-benzyl-2,5-dioxotetrahydro-1H-imidazol-4-yl]propanamide

Y042-1573 Screening compound: N-[4-(aminosulfonyl)benzyl]-3-[(4S)-1-benzyl-2,5-dioxotetrahydro-1H-imidazol-4-yl]propanamide
Y042-1573 Screening compound: N-[4-(aminosulfonyl)benzyl]-3-[(4S)-1-benzyl-2,5-dioxotetrahydro-1H-imidazol-4-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-1573
N-[4-(aminosulfonyl)benzyl]-3-[(4S)-1-benzyl-2,5-dioxotetrahydro-1H-imidazol-4-yl]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

Y042-1573

Molecular Formula

C20H22N4O5S (C20 H22 N4 O5 S)

Compound Name

N-[4-(aminosulfonyl)benzyl]-3-[(4S)-1-benzyl-2,5-dioxotetrahydro-1H-imidazol-4-yl]propanamide

IUPAC name

3-[(4S)-1-benzyl-25-dioxoimidazolidin-4-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide

SMILES

NS(c1ccc(CNC(CCC(C(N2Cc3ccccc3)=O)NC2=O)=O)cc1)(=O)=O

InChI

InChI=1S/C20H22N4O5S/c21-30(28,29)16-8-6-14(7-9-16)12-22-18(25)11-10-17-19(26)24(20(27)23-17)13-15-4-2-1-3-5-15/h1-9,17H,10-13H2,(H,22,25)(H,23,27)(H2,21,28,29)/t17-/m0/s1

InChI Key

PWKNPLSMELLMEQ-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.509

Distribution Coefficient, logD

0.508

Water Solubility, LogSw

-2.25

Polar Surface Area

116.739

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

Y042-1573 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y042-1573 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-1573?
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What is the minimum amount of Y042-1573 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-1573
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-1573
  • 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 Y042-1573 available by request