2173-0043 Screening compound: 7-bromo-4-[2-(morpholin-4-yl)acetyl]-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

2173-0043 Screening compound: 7-bromo-4-[2-(morpholin-4-yl)acetyl]-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
2173-0043 Screening compound: 7-bromo-4-[2-(morpholin-4-yl)acetyl]-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2173-0043
7-bromo-4-[2-(morpholin-4-yl)acetyl]-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

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

2173-0043

Molecular Formula

C21H22BrN3O3 (C21 H22 BrN3 O3)

Compound Name

7-bromo-4-[2-(morpholin-4-yl)acetyl]-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

IUPAC name

7-bromo-4-[2-(morpholin-4-yl)acetyl]-5-phenyl-2345-tetrahydro-1H-14-benzodiazepin-2-one

SMILES

O=C(CN1CCOCC1)N(C1)C(c2ccccc2)c(cc(cc2)Br)c2NC1=O

InChI

InChI=1S/C21H22BrN3O3/c22-16-6-7-18-17(12-16)21(15-4-2-1-3-5-15)25(13-19(26)23-18)20(27)14-24-8-10-28-11-9-24/h1-7,12,21H,8-11,13-14H2,(H,23,26)/t21-/m0/s1

InChI Key

QRSFJETWRUTZDF-NRFANRHFSA-N

MDL Number (MFCD)

MFCD01171211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.512

Distribution Coefficient, logD

2.512

Water Solubility, LogSw

-3.04

Polar Surface Area

52.411

Acid Dissociation Constant (pKa)

11.89

Base Dissociation Constant (pKb)

4.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

2173-0043 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

BRD4 Targeted Library (4534 compounds)

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

CNS Targets (44014 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
Targets:
  • Others
  • Kinases
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2173-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2173-0043?
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What is the minimum amount of 2173-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2173-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2173-0043
  • 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 2173-0043 available by request