Y042-8025 Screening compound: methyl (3S)-2-(2-chloroacetyl)-1-(2-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate

Y042-8025 Screening compound: methyl (3S)-2-(2-chloroacetyl)-1-(2-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate
Y042-8025 Screening compound: methyl (3S)-2-(2-chloroacetyl)-1-(2-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-8025
methyl (3S)-2-(2-chloroacetyl)-1-(2-methoxyphenyl)-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

Y042-8025

Molecular Formula

C22H21ClN2O4 (C22 H21 ClN2 O4)

Compound Name

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

IUPAC name

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

SMILES

COC(C(Cc1c(C2c(cccc3)c3OC)[nH]c3c1cccc3)N2C(CCl)=O)=O

InChI

InChI=1S/C22H21ClN2O4/c1-28-18-10-6-4-8-14(18)21-20-15(13-7-3-5-9-16(13)24-20)11-17(22(27)29-2)25(21)19(26)12-23/h3-10,17,21,24H,11-12H2,1-2H3/t17-,21?/m0/s1

InChI Key

KQXMMSCTNRYOON-PBVYKCSPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.602

Distribution Coefficient, logD

3.602

Water Solubility, LogSw

-3.82

Polar Surface Area

53.968

Acid Dissociation Constant (pKa)

17.78

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.27

Y042-8025 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 Y042-8025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-8025?
Check Price and Availability of Y042-8025, 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 Y042-8025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-8025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-8025
  • 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 Y042-8025 available by request