Y041-5096 Screening compound: 2-[(1-benzofuran-2-yl)formamido]-4-(methylsulfanyl)-N-(1,3-thiazol-2-yl)butanamide

Y041-5096 Screening compound: 2-[(1-benzofuran-2-yl)formamido]-4-(methylsulfanyl)-N-(1,3-thiazol-2-yl)butanamide
Y041-5096 Screening compound: 2-[(1-benzofuran-2-yl)formamido]-4-(methylsulfanyl)-N-(1,3-thiazol-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5096
2-[(1-benzofuran-2-yl)formamido]-4-(methylsulfanyl)-N-(1,3-thiazol-2-yl)butanamide

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

Y041-5096

Molecular Formula

C17H17N3O3S2 (C17 H17 N3 O3 S2)

Compound Name

2-[(1-benzofuran-2-yl)formamido]-4-(methylsulfanyl)-N-(1,3-thiazol-2-yl)butanamide

IUPAC name

(2R)-2-[(1-benzofuran-2-yl)formamido]-4-(methylsulfanyl)-N-(13-thiazol-2-yl)butanamide

SMILES

CSCCC(C(Nc1nccs1)=O)NC(c1cc(cccc2)c2o1)=O

InChI

InChI=1S/C17H17N3O3S2/c1-24-8-6-12(15(21)20-17-18-7-9-25-17)19-16(22)14-10-11-4-2-3-5-13(11)23-14/h2-5,7,9-10,12H,6,8H2,1H3,(H,19,22)(H,18,20,21)/t12-/m0/s1

InChI Key

AESSTRHMQPTVIW-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.742

Distribution Coefficient, logD

3.741

Water Solubility, LogSw

-3.81

Polar Surface Area

66.416

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

Y041-5096 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y041-5096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5096?
Check Price and Availability of Y041-5096, 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 Y041-5096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5096
  • 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 Y041-5096 available by request