Y041-4480 Screening compound: 2-[2-(6-FLUORO-1H-INDOL-1-YL)ACETAMIDO]-4-(METHYLSULFANYL)BUTANOIC ACID

Y041-4480 Screening compound: 2-[2-(6-FLUORO-1H-INDOL-1-YL)ACETAMIDO]-4-(METHYLSULFANYL)BUTANOIC ACID
Y041-4480 Screening compound: 2-[2-(6-FLUORO-1H-INDOL-1-YL)ACETAMIDO]-4-(METHYLSULFANYL)BUTANOIC ACID alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4480
2-[2-(6-FLUORO-1H-INDOL-1-YL)ACETAMIDO]-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

Y041-4480

Molecular Formula

C15H17FN2O3S (C15 H17 FN2 O3 S)

Compound Name

2-[2-(6-FLUORO-1H-INDOL-1-YL)ACETAMIDO]-4-(METHYLSULFANYL)BUTANOIC ACID

IUPAC name

(2S)-2-[2-(6-fluoro-1H-indol-1-yl)acetamido]-4-(methylsulfanyl)butanoic acid

SMILES

CSCCC(C(O)=O)NC(Cn(cc1)c2c1ccc(F)c2)=O

InChI

InChI=1S/C15H17FN2O3S/c1-22-7-5-12(15(20)21)17-14(19)9-18-6-4-10-2-3-11(16)8-13(10)18/h2-4,6,8,12H,5,7,9H2,1H3,(H,17,19)(H,20,21)/t12-/m0/s1

InChI Key

GQWXRYKNMCQGQF-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.358

Distribution Coefficient, logD

-2.302

Water Solubility, LogSw

-2.49

Polar Surface Area

54.859

Acid Dissociation Constant (pKa)

3.74

Base Dissociation Constant (pKb)

0.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

Y041-4480 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y041-4480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4480?
Check Price and Availability of Y041-4480, 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 Y041-4480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4480
  • 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 Y041-4480 available by request