Y041-5069 Screening compound: 3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-(3,3-diphenylpropyl)propanamide

Y041-5069 Screening compound: 3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-(3,3-diphenylpropyl)propanamide
Y041-5069 Screening compound: 3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-(3,3-diphenylpropyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5069
3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-(3,3-diphenylpropyl)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

Y041-5069

Molecular Formula

C27H27N3O3 (C27 H27 N3 O3)

Compound Name

3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-(3,3-diphenylpropyl)propanamide

IUPAC name

3-[(3R)-25-dioxo-2345-tetrahydro-1H-14-benzodiazepin-3-yl]-N-(33-diphenylpropyl)propanamide

SMILES

O=C(CCC(C(Nc1c2cccc1)=O)NC2=O)NCCC(c1ccccc1)c1ccccc1

InChI

InChI=1S/C27H27N3O3/c31-25(16-15-24-27(33)29-23-14-8-7-13-22(23)26(32)30-24)28-18-17-21(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,21,24H,15-18H2,(H,28,31)(H,29,33)(H,30,32)/t24-/m0/s1

InChI Key

BIBLNBDBTNYGIV-DEOSSOPVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.050

Distribution Coefficient, logD

4.039

Water Solubility, LogSw

-4.37

Polar Surface Area

74.992

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.22

Y041-5069 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y041-5069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5069?
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What is the minimum amount of Y041-5069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5069
  • 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 Y041-5069 available by request