Y041-5208 Screening compound: methyl 2-[2-(6-fluoro-1H-indol-1-yl)acetamido]-3-methylpentanoate

Y041-5208 Screening compound: methyl 2-[2-(6-fluoro-1H-indol-1-yl)acetamido]-3-methylpentanoate
Y041-5208 Screening compound: methyl 2-[2-(6-fluoro-1H-indol-1-yl)acetamido]-3-methylpentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5208
methyl 2-[2-(6-fluoro-1H-indol-1-yl)acetamido]-3-methylpentanoate

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

Y041-5208

Molecular Formula

C17H21FN2O3 (C17 H21 FN2 O3)

Compound Name

methyl 2-[2-(6-fluoro-1H-indol-1-yl)acetamido]-3-methylpentanoate

IUPAC name

methyl (2S3S)-2-[2-(6-fluoro-1H-indol-1-yl)acetamido]-3-methylpentanoate

SMILES

CC[C@H](C)[C@@H](C(OC)=O)NC(Cn(cc1)c2c1ccc(F)c2)=O

InChI

InChI=1S/C17H21FN2O3/c1-4-11(2)16(17(22)23-3)19-15(21)10-20-8-7-12-5-6-13(18)9-14(12)20/h5-9,11,16H,4,10H2,1-3H3,(H,19,21)/t11-,16-/m0/s1

InChI Key

WNYHAIZBXWOJRA-ZBEGNZNMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.165

Distribution Coefficient, logD

3.165

Water Solubility, LogSw

-3.43

Polar Surface Area

47.346

Acid Dissociation Constant (pKa)

13.67

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.20

Y041-5208 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y041-5208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5208?
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What is the minimum amount of Y041-5208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5208
  • 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 Y041-5208 available by request