Y043-7597 Screening compound: 3-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-4-imidazolidinyl]-N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)propanamide

Y043-7597 Screening compound: 3-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-4-imidazolidinyl]-N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)propanamide
Y043-7597 Screening compound: 3-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-4-imidazolidinyl]-N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-7597
3-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-4-imidazolidinyl]-N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-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

Y043-7597

Molecular Formula

C18H21N3O7S (C18 H21 N3 O7 S)

Compound Name

3-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-4-imidazolidinyl]-N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)propanamide

IUPAC name

3-{1-[(2H-13-benzodioxol-5-yl)methyl]-25-dioxoimidazolidin-4-yl}-N-(11-dioxo-1lambda6-thiolan-3-yl)propanamide

SMILES

O=C(CCC(C(N1Cc(cc2)cc3c2OCO3)=O)NC1=O)NC(CC1)CS1(=O)=O

InChI

InChI=1S/C18H21N3O7S/c22-16(19-12-5-6-29(25,26)9-12)4-2-13-17(23)21(18(24)20-13)8-11-1-3-14-15(7-11)28-10-27-14/h1,3,7,12-13H,2,4-6,8-10H2,(H,19,22)(H,20,24)

InChI Key

WYARUMFZKBKGKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31946457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.45

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.279

Distribution Coefficient, logD

-0.279

Water Solubility, LogSw

-2.25

Polar Surface Area

111.414

Acid Dissociation Constant (pKa)

11.55

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

Y043-7597 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 Y043-7597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-7597?
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What is the minimum amount of Y043-7597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-7597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-7597
  • 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 Y043-7597 available by request