Y043-0012 Screening compound: N~1~-[4-(benzyloxy)phenyl]-3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)propanamide

Y043-0012 Screening compound: N~1~-[4-(benzyloxy)phenyl]-3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)propanamide
Y043-0012 Screening compound: N~1~-[4-(benzyloxy)phenyl]-3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-0012
N~1~-[4-(benzyloxy)phenyl]-3-(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

Y043-0012

Molecular Formula

C25H23N3O4 (C25 H23 N3 O4)

Compound Name

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

IUPAC name

N-[4-(benzyloxy)phenyl]-3-(25-dioxo-2345-tetrahydro-1H-14-benzodiazepin-3-yl)propanamide

SMILES

O=C(CCC(C(Nc1c2cccc1)=O)NC2=O)Nc(cc1)ccc1OCc1ccccc1

InChI

InChI=1S/C25H23N3O4/c29-23(15-14-22-25(31)27-21-9-5-4-8-20(21)24(30)28-22)26-18-10-12-19(13-11-18)32-16-17-6-2-1-3-7-17/h1-13,22H,14-16H2,(H,26,29)(H,27,31)(H,28,30)/t22-/m0/s1

InChI Key

VYYCQPVBLQSFPT-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14204457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.791

Distribution Coefficient, logD

3.781

Water Solubility, LogSw

-4.27

Polar Surface Area

81.328

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

Y043-0012 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCL1 Targeted Library (12200 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with Y043-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-0012?
Check Price and Availability of Y043-0012, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y043-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-0012
  • 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 Y043-0012 available by request