Y044-3781 Screening compound: N-(2,5-dimethoxyphenyl)-2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)acetamide

Y044-3781 Screening compound: N-(2,5-dimethoxyphenyl)-2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)acetamide
Y044-3781 Screening compound: N-(2,5-dimethoxyphenyl)-2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-3781
N-(2,5-dimethoxyphenyl)-2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)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

Y044-3781

Molecular Formula

C19H19N3O5 (C19 H19 N3 O5)

Compound Name

N-(2,5-dimethoxyphenyl)-2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)acetamide

IUPAC name

N-(25-dimethoxyphenyl)-2-(25-dioxo-2345-tetrahydro-1H-14-benzodiazepin-3-yl)acetamide

SMILES

COc(cc1)cc(NC(CC(C(Nc2c3cccc2)=O)NC3=O)=O)c1OC

InChI

InChI=1S/C19H19N3O5/c1-26-11-7-8-16(27-2)14(9-11)20-17(23)10-15-19(25)21-13-6-4-3-5-12(13)18(24)22-15/h3-9,15H,10H2,1-2H3,(H,20,23)(H,21,25)(H,22,24)/t15-/m0/s1

InChI Key

BGQYSHNIYFVLGT-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.526

Distribution Coefficient, logD

1.513

Water Solubility, LogSw

-2.44

Polar Surface Area

88.576

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

2.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.05

Y044-3781 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 Y044-3781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-3781?
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What is the minimum amount of Y044-3781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-3781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-3781
  • 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 Y044-3781 available by request