Y042-5314 Screening compound: 1-(4-methoxyphenyl)-4-[(8-methoxy-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]-2-pyrrolidinone

Y042-5314 Screening compound: 1-(4-methoxyphenyl)-4-[(8-methoxy-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]-2-pyrrolidinone
Y042-5314 Screening compound: 1-(4-methoxyphenyl)-4-[(8-methoxy-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]-2-pyrrolidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-5314
1-(4-methoxyphenyl)-4-[(8-methoxy-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]-2-pyrrolidinone

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

Y042-5314

Molecular Formula

C24H25N3O4 (C24 H25 N3 O4)

Compound Name

1-(4-methoxyphenyl)-4-[(8-methoxy-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]-2-pyrrolidinone

IUPAC name

4-{8-methoxy-1H2H3H4H5H-pyrido[43-b]indole-2-carbonyl}-1-(4-methoxyphenyl)pyrrolidin-2-one

SMILES

COc(cc1)ccc1N(CC(C1)C(N(CC2)Cc3c2[nH]c(cc2)c3cc2OC)=O)C1=O

InChI

InChI=1S/C24H25N3O4/c1-30-17-5-3-16(4-6-17)27-13-15(11-23(27)28)24(29)26-10-9-22-20(14-26)19-12-18(31-2)7-8-21(19)25-22/h3-8,12,15,25H,9-11,13-14H2,1-2H3/t15-/m1/s1

InChI Key

PARYBVMXJNLVOU-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD20529363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.329

Distribution Coefficient, logD

2.329

Water Solubility, LogSw

-3.02

Polar Surface Area

59.236

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

Y042-5314 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y042-5314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-5314?
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What is the minimum amount of Y042-5314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-5314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-5314
  • 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 Y042-5314 available by request