Y043-5013 Screening compound: 2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N~1~-{[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]methyl}acetamide

Y043-5013 Screening compound: 2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N~1~-{[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]methyl}acetamide
Y043-5013 Screening compound: 2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N~1~-{[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-5013
2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N~1~-{[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]methyl}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

Y043-5013

Molecular Formula

C19H16N6O4 (C19 H16 N6 O4)

Compound Name

2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N~1~-{[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]methyl}acetamide

IUPAC name

2-(25-dioxo-2345-tetrahydro-1H-14-benzodiazepin-3-yl)-N-{[3-(pyridin-4-yl)-124-oxadiazol-5-yl]methyl}acetamide

SMILES

O=C(CC(C(Nc1c2cccc1)=O)NC2=O)NCc1nc(-c2ccncc2)no1

InChI

InChI=1S/C19H16N6O4/c26-15(21-10-16-24-17(25-29-16)11-5-7-20-8-6-11)9-14-19(28)22-13-4-2-1-3-12(13)18(27)23-14/h1-8,14H,9-10H2,(H,21,26)(H,22,28)(H,23,27)/t14-/m0/s1

InChI Key

AZNNQYLQYUOCIS-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD32262485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.37

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.905

Distribution Coefficient, logD

0.893

Water Solubility, LogSw

-1.74

Polar Surface Area

116.193

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.79

Y043-5013 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y043-5013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-5013?
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What is the minimum amount of Y043-5013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-5013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-5013
  • 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 Y043-5013 available by request