0635-0095 Screening compound: 1-benzyl-3-[2-(benzylamino)-5-bromophenyl]-1,2-dihydroquinoxalin-2-one

0635-0095 Screening compound: 1-benzyl-3-[2-(benzylamino)-5-bromophenyl]-1,2-dihydroquinoxalin-2-one
0635-0095 Screening compound: 1-benzyl-3-[2-(benzylamino)-5-bromophenyl]-1,2-dihydroquinoxalin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0635-0095
1-benzyl-3-[2-(benzylamino)-5-bromophenyl]-1,2-dihydroquinoxalin-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

0635-0095

Molecular Formula

C28H22BrN3O (C28 H22 BrN3 O)

Compound Name

1-benzyl-3-[2-(benzylamino)-5-bromophenyl]-1,2-dihydroquinoxalin-2-one

IUPAC name

1-benzyl-3-[2-(benzylamino)-5-bromophenyl]-12-dihydroquinoxalin-2-one

SMILES

O=C1N(Cc2ccccc2)c(cccc2)c2N=C1c(cc(cc1)Br)c1NCc1ccccc1

InChI

InChI=1S/C28H22BrN3O/c29-22-15-16-24(30-18-20-9-3-1-4-10-20)23(17-22)27-28(33)32(19-21-11-5-2-6-12-21)26-14-8-7-13-25(26)31-27/h1-17,30H,18-19H2

InChI Key

AGHWPMLQWFRCIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14708285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.145

Distribution Coefficient, logD

6.145

Water Solubility, LogSw

-5.93

Polar Surface Area

32.715

Acid Dissociation Constant (pKa)

16.59

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

0635-0095 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 0635-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0635-0095?
Check Price and Availability of 0635-0095, 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 0635-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0635-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0635-0095
  • 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 0635-0095 available by request