Y043-7592 Screening compound: N-cyclooctyl-3-({[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}amino)benzamide

Y043-7592 Screening compound: N-cyclooctyl-3-({[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}amino)benzamide
Y043-7592 Screening compound: N-cyclooctyl-3-({[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}amino)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-7592
N-cyclooctyl-3-({[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}amino)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

Y043-7592

Molecular Formula

C20H29N3O4S (C20 H29 N3 O4 S)

Compound Name

N-cyclooctyl-3-({[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}amino)benzamide

IUPAC name

N-cyclooctyl-3-{[(11-dioxo-1lambda6-thiolan-3-yl)carbamoyl]amino}benzamide

SMILES

O=C(c1cccc(NC(NC(CC2)CS2(=O)=O)=O)c1)NC1CCCCCCC1

InChI

InChI=1S/C20H29N3O4S/c24-19(21-16-8-4-2-1-3-5-9-16)15-7-6-10-17(13-15)22-20(25)23-18-11-12-28(26,27)14-18/h6-7,10,13,16,18H,1-5,8-9,11-12,14H2,(H,21,24)(H2,22,23,25)/t18-/m1/s1

InChI Key

PUCMTJKXSWMPNT-GOSISDBHSA-N

MDL Number (MFCD)

MFCD12217211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.764

Distribution Coefficient, logD

2.764

Water Solubility, LogSw

-3.34

Polar Surface Area

86.496

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

Y043-7592 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
  • Eye
Targets:
  • Others
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y043-7592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-7592?
Check Price and Availability of Y043-7592, 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 Y043-7592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-7592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-7592
  • 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 Y043-7592 available by request