Y044-5429 Screening compound: 3-({[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}amino)-N-phenylbenzamide

Y044-5429 Screening compound: 3-({[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}amino)-N-phenylbenzamide
Y044-5429 Screening compound: 3-({[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}amino)-N-phenylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-5429
3-({[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}amino)-N-phenylbenzamide

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

Y044-5429

Molecular Formula

C18H19N3O4S (C18 H19 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cccc(NC(NC(CC2)CS2(=O)=O)=O)c1)Nc1ccccc1

InChI

InChI=1S/C18H19N3O4S/c22-17(19-14-6-2-1-3-7-14)13-5-4-8-15(11-13)20-18(23)21-16-9-10-26(24,25)12-16/h1-8,11,16H,9-10,12H2,(H,19,22)(H2,20,21,23)/t16-/m1/s1

InChI Key

IJTSCEUCVXBTMG-MRXNPFEDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.43

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

1.581

Distribution Coefficient, logD

1.581

Water Solubility, LogSw

-2.45

Polar Surface Area

85.117

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.22

Y044-5429 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y044-5429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-5429?
Check Price and Availability of Y044-5429, 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 Y044-5429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-5429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-5429
  • 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 Y044-5429 available by request