Y042-8759 Screening compound: 2-[(1-benzofuran-2-yl)formamido]-4-(methylsulfanyl)butanoic acid

Y042-8759 Screening compound: 2-[(1-benzofuran-2-yl)formamido]-4-(methylsulfanyl)butanoic acid
Y042-8759 Screening compound: 2-[(1-benzofuran-2-yl)formamido]-4-(methylsulfanyl)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-8759
2-[(1-benzofuran-2-yl)formamido]-4-(methylsulfanyl)butanoic acid

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

Y042-8759

Molecular Formula

C14H15NO4S (C14 H15 NO4 S)

Compound Name

2-[(1-benzofuran-2-yl)formamido]-4-(methylsulfanyl)butanoic acid

IUPAC name

(2S)-2-[(1-benzofuran-2-yl)formamido]-4-(methylsulfanyl)butanoic acid

SMILES

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

InChI

InChI=1S/C14H15NO4S/c1-20-7-6-10(14(17)18)15-13(16)12-8-9-4-2-3-5-11(9)19-12/h2-5,8,10H,6-7H2,1H3,(H,15,16)(H,17,18)/t10-/m0/s1

InChI Key

XAGVSTMCXVQXBC-JTQLQIEISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.762

Distribution Coefficient, logD

-1.757

Water Solubility, LogSw

-2.60

Polar Surface Area

61.255

Acid Dissociation Constant (pKa)

3.88

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with Y042-8759 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-8759?
Check Price and Availability of Y042-8759, 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 Y042-8759 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-8759
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-8759
  • 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 Y042-8759 available by request