Y043-8024 Screening compound: 2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide

Y043-8024 Screening compound: 2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide
Y043-8024 Screening compound: 2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-8024
2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide

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

Y043-8024

Molecular Formula

C16H17N5O3 (C16 H17 N5 O3)

Compound Name

2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide

IUPAC name

2-(25-dioxo-2345-tetrahydro-1H-14-benzodiazepin-3-yl)-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide

SMILES

O=C(CC(C(Nc1c2cccc1)=O)NC2=O)NCCn1nccc1

InChI

InChI=1S/C16H17N5O3/c22-14(17-7-9-21-8-3-6-18-21)10-13-16(24)19-12-5-2-1-4-11(12)15(23)20-13/h1-6,8,13H,7,9-10H2,(H,17,22)(H,19,24)(H,20,23)/t13-/m0/s1

InChI Key

ABIPNEIYGUFGBP-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD32262758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.510

Distribution Coefficient, logD

-0.523

Water Solubility, LogSw

-2.01

Polar Surface Area

90.036

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

Y043-8024 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y043-8024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-8024?
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What is the minimum amount of Y043-8024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-8024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-8024
  • 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 Y043-8024 available by request