Y041-4973 Screening compound: methyl 2-[2-(6-chloro-1H-indol-1-yl)acetamido]-4-methylpentanoate

Y041-4973 Screening compound: methyl 2-[2-(6-chloro-1H-indol-1-yl)acetamido]-4-methylpentanoate
Y041-4973 Screening compound: methyl 2-[2-(6-chloro-1H-indol-1-yl)acetamido]-4-methylpentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4973
methyl 2-[2-(6-chloro-1H-indol-1-yl)acetamido]-4-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

Y041-4973

Molecular Formula

C17H21ClN2O3 (C17 H21 ClN2 O3)

Compound Name

methyl 2-[2-(6-chloro-1H-indol-1-yl)acetamido]-4-methylpentanoate

IUPAC name

methyl (2S)-2-[2-(6-chloro-1H-indol-1-yl)acetamido]-4-methylpentanoate

SMILES

CC(C)CC(C(OC)=O)NC(Cn(cc1)c2c1ccc(Cl)c2)=O

InChI

InChI=1S/C17H21ClN2O3/c1-11(2)8-14(17(22)23-3)19-16(21)10-20-7-6-12-4-5-13(18)9-15(12)20/h4-7,9,11,14H,8,10H2,1-3H3,(H,19,21)/t14-/m0/s1

InChI Key

BFQHHCQNCQVINR-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.82

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

3.510

Distribution Coefficient, logD

3.510

Water Solubility, LogSw

-3.80

Polar Surface Area

47.625

Acid Dissociation Constant (pKa)

12.61

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

Y041-4973 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y041-4973 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4973?
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What is the minimum amount of Y041-4973 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4973
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4973
  • 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 Y041-4973 available by request