Y041-8956 Screening compound: 3-(propan-2-yl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione

Y041-8956 Screening compound: 3-(propan-2-yl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione
Y041-8956 Screening compound: 3-(propan-2-yl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-8956
3-(propan-2-yl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione

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

Y041-8956

Molecular Formula

C12H14N2O2 (C12 H14 N2 O2)

Compound Name

3-(propan-2-yl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione

IUPAC name

3-(propan-2-yl)-2345-tetrahydro-1H-14-benzodiazepine-25-dione

SMILES

CC(C)C(C(Nc1c2cccc1)=O)NC2=O

InChI

InChI=1S/C12H14N2O2/c1-7(2)10-12(16)13-9-6-4-3-5-8(9)11(15)14-10/h3-7,10H,1-2H3,(H,13,16)(H,14,15)/t10-/m0/s1

InChI Key

UDZUQLATAJECJW-JTQLQIEISA-N

MDL Number (MFCD)

MFCD08741813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

218.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.579

Distribution Coefficient, logD

1.563

Water Solubility, LogSw

-2.30

Polar Surface Area

51.116

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-2.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

Y041-8956 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y041-8956 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-8956?
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What is the minimum amount of Y041-8956 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-8956
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-8956
  • 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 Y041-8956 available by request