Y042-5448 Screening compound: 1-(4-methoxyphenyl)-4-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-ylcarbonyl)-2-pyrrolidinone

Y042-5448 Screening compound: 1-(4-methoxyphenyl)-4-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-ylcarbonyl)-2-pyrrolidinone
Y042-5448 Screening compound: 1-(4-methoxyphenyl)-4-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-ylcarbonyl)-2-pyrrolidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-5448
1-(4-methoxyphenyl)-4-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-ylcarbonyl)-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

Y042-5448

Molecular Formula

C23H23N3O3 (C23 H23 N3 O3)

Compound Name

1-(4-methoxyphenyl)-4-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-ylcarbonyl)-2-pyrrolidinone

IUPAC name

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

SMILES

COc(cc1)ccc1N(CC(C1)C(N(CC2)Cc3c2[nH]c2c3cccc2)=O)C1=O

InChI

InChI=1S/C23H23N3O3/c1-29-17-8-6-16(7-9-17)26-13-15(12-22(26)27)23(28)25-11-10-21-19(14-25)18-4-2-3-5-20(18)24-21/h2-9,15,24H,10-14H2,1H3/t15-/m1/s1

InChI Key

YDEXFIINBSBEHT-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD20529189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.136

Distribution Coefficient, logD

2.136

Water Solubility, LogSw

-2.76

Polar Surface Area

51.692

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.43

Y042-5448 in Drug Discovery

Included in Screening Libraries

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 Y042-5448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-5448?
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What is the minimum amount of Y042-5448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-5448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-5448
  • 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 Y042-5448 available by request