Y042-6246 Screening compound: N~1~-cyclopropyl-3-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanamide

Y042-6246 Screening compound: N~1~-cyclopropyl-3-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanamide
Y042-6246 Screening compound: N~1~-cyclopropyl-3-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-6246
N~1~-cyclopropyl-3-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]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

Y042-6246

Molecular Formula

C15H17N3O3 (C15 H17 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCC(C(Nc1c2cccc1)=O)NC2=O)NC1CC1

InChI

InChI=1S/C15H17N3O3/c19-13(16-9-5-6-9)8-7-12-15(21)17-11-4-2-1-3-10(11)14(20)18-12/h1-4,9,12H,5-8H2,(H,16,19)(H,17,21)(H,18,20)/t12-/m0/s1

InChI Key

MLABCZUDHNIUIL-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.093

Distribution Coefficient, logD

1.083

Water Solubility, LogSw

-2.23

Polar Surface Area

75.478

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

4.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with Y042-6246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-6246?
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What is the minimum amount of Y042-6246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-6246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-6246
  • 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 Y042-6246 available by request