Y042-6287 Screening compound: 3-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N~1~-[2-(4-methoxy-1H-indol-1-yl)ethyl]propanamide

Y042-6287 Screening compound: 3-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N~1~-[2-(4-methoxy-1H-indol-1-yl)ethyl]propanamide
Y042-6287 Screening compound: 3-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N~1~-[2-(4-methoxy-1H-indol-1-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-6287
3-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N~1~-[2-(4-methoxy-1H-indol-1-yl)ethyl]propanamide

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

Y042-6287

Molecular Formula

C23H24N4O4 (C23 H24 N4 O4)

Compound Name

3-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N~1~-[2-(4-methoxy-1H-indol-1-yl)ethyl]propanamide

IUPAC name

3-[(3R)-25-dioxo-2345-tetrahydro-1H-14-benzodiazepin-3-yl]-N-[2-(4-methoxy-1H-indol-1-yl)ethyl]propanamide

SMILES

COc1cccc2c1ccn2CCNC(CCC(C(Nc1c2cccc1)=O)NC2=O)=O

InChI

InChI=1S/C23H24N4O4/c1-31-20-8-4-7-19-16(20)11-13-27(19)14-12-24-21(28)10-9-18-23(30)25-17-6-3-2-5-15(17)22(29)26-18/h2-8,11,13,18H,9-10,12,14H2,1H3,(H,24,28)(H,25,30)(H,26,29)/t18-/m0/s1

InChI Key

LECYTICAYNLMDU-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.172

Distribution Coefficient, logD

2.161

Water Solubility, LogSw

-2.91

Polar Surface Area

84.983

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.09

Y042-6287 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 Y042-6287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-6287?
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What is the minimum amount of Y042-6287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-6287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-6287
  • 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 Y042-6287 available by request