7790-2716 Screening compound: 1-[(2-bromophenyl)methyl]-2-phenylmethanesulfonyl-1H-1,3-benzodiazole

7790-2716 Screening compound: 1-[(2-bromophenyl)methyl]-2-phenylmethanesulfonyl-1H-1,3-benzodiazole
7790-2716 Screening compound: 1-[(2-bromophenyl)methyl]-2-phenylmethanesulfonyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 7790-2716
1-[(2-bromophenyl)methyl]-2-phenylmethanesulfonyl-1H-1,3-benzodiazole

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

7790-2716

Molecular Formula

C21H17BrN2O2S (C21 H17 BrN2 O2 S)

Compound Name

1-[(2-bromophenyl)methyl]-2-phenylmethanesulfonyl-1H-1,3-benzodiazole

IUPAC name

1-[(2-bromophenyl)methyl]-2-phenylmethanesulfonyl-1H-13-benzodiazole

SMILES

O=S(Cc1ccccc1)(c1nc(cccc2)c2n1Cc(cccc1)c1Br)=O

InChI

InChI=1S/C21H17BrN2O2S/c22-18-11-5-4-10-17(18)14-24-20-13-7-6-12-19(20)23-21(24)27(25,26)15-16-8-2-1-3-9-16/h1-13H,14-15H2

InChI Key

SGCMAORDPAFACE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05258896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.070

Distribution Coefficient, logD

5.070

Water Solubility, LogSw

-5.02

Polar Surface Area

39.885

Acid Dissociation Constant (pKa)

19.87

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

7790-2716 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7790-2716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7790-2716?
Check Price and Availability of 7790-2716, 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 7790-2716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7790-2716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7790-2716
  • 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 7790-2716 available by request