Y042-8010 Screening compound: methyl (3S)-2-(2-chloroacetyl)-1-phenyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate

Y042-8010 Screening compound: methyl (3S)-2-(2-chloroacetyl)-1-phenyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate
Y042-8010 Screening compound: methyl (3S)-2-(2-chloroacetyl)-1-phenyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-8010
methyl (3S)-2-(2-chloroacetyl)-1-phenyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate

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

Y042-8010

Molecular Formula

C21H19ClN2O3 (C21 H19 ClN2 O3)

Compound Name

methyl (3S)-2-(2-chloroacetyl)-1-phenyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate

IUPAC name

methyl (3S)-2-(2-chloroacetyl)-1-phenyl-1H2H3H4H9H-pyrido[34-b]indole-3-carboxylate

SMILES

COC(C(Cc1c(C2c3ccccc3)[nH]c3c1cccc3)N2C(CCl)=O)=O

InChI

InChI=1S/C21H19ClN2O3/c1-27-21(26)17-11-15-14-9-5-6-10-16(14)23-19(15)20(24(17)18(25)12-22)13-7-3-2-4-8-13/h2-10,17,20,23H,11-12H2,1H3/t17-,20?/m0/s1

InChI Key

NGKFADZEKPUTMI-DIMJTDRSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.475

Distribution Coefficient, logD

3.475

Water Solubility, LogSw

-3.71

Polar Surface Area

46.337

Acid Dissociation Constant (pKa)

17.78

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.81

Y042-8010 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y042-8010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-8010?
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What is the minimum amount of Y042-8010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-8010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-8010
  • 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 Y042-8010 available by request