2187-0851 Screening compound: 4-(benzenesulfonyl)-7-bromo-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

2187-0851 Screening compound: 4-(benzenesulfonyl)-7-bromo-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
2187-0851 Screening compound: 4-(benzenesulfonyl)-7-bromo-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2187-0851
4-(benzenesulfonyl)-7-bromo-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

2187-0851

Molecular Formula

C21H17BrN2O3S (C21 H17 BrN2 O3 S)

Compound Name

4-(benzenesulfonyl)-7-bromo-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

IUPAC name

4-(benzenesulfonyl)-7-bromo-5-phenyl-2345-tetrahydro-1H-14-benzodiazepin-2-one

SMILES

O=C(CN(C1c2ccccc2)S(c2ccccc2)(=O)=O)Nc(cc2)c1cc2Br

InChI

InChI=1S/C21H17BrN2O3S/c22-16-11-12-19-18(13-16)21(15-7-3-1-4-8-15)24(14-20(25)23-19)28(26,27)17-9-5-2-6-10-17/h1-13,21H,14H2,(H,23,25)/t21-/m0/s1

InChI Key

SSQWIRHWMZEVPH-NRFANRHFSA-N

MDL Number (MFCD)

MFCD00981775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.472

Distribution Coefficient, logD

4.470

Water Solubility, LogSw

-4.30

Polar Surface Area

56.866

Acid Dissociation Constant (pKa)

9.85

Base Dissociation Constant (pKb)

-3.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.50

2187-0851 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Antiparasite Library (23996 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Infections
  • Immune system
  • animal
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 2187-0851 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2187-0851?
Check Price and Availability of 2187-0851, 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 2187-0851 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2187-0851
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2187-0851
  • 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 2187-0851 available by request