K784-9699 Screening compound: 3-[2-(5-bromo-2-acetamidophenyl)-2-oxoacetamido]-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]benzamide

K784-9699 Screening compound: 3-[2-(5-bromo-2-acetamidophenyl)-2-oxoacetamido]-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]benzamide
K784-9699 Screening compound: 3-[2-(5-bromo-2-acetamidophenyl)-2-oxoacetamido]-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-9699
3-[2-(5-bromo-2-acetamidophenyl)-2-oxoacetamido]-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]benzamide

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

K784-9699

Molecular Formula

C26H22BrN3O6 (C26 H22 BrN3 O6)

Compound Name

3-[2-(5-bromo-2-acetamidophenyl)-2-oxoacetamido]-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]benzamide

IUPAC name

3-[2-(5-bromo-2-acetamidophenyl)-2-oxoacetamido]-N-[(23-dihydro-14-benzodioxin-2-yl)methyl]benzamide

SMILES

CC(Nc(ccc(Br)c1)c1C(C(Nc1cc(C(NCC2Oc(cccc3)c3OC2)=O)ccc1)=O)=O)=O

InChI

InChI=1S/C26H22BrN3O6/c1-15(31)29-21-10-9-17(27)12-20(21)24(32)26(34)30-18-6-4-5-16(11-18)25(33)28-13-19-14-35-22-7-2-3-8-23(22)36-19/h2-12,19H,13-14H2,1H3,(H,28,33)(H,29,31)(H,30,34)/t19-/m0/s1

InChI Key

SBLNKLFTIYDCNU-IBGZPJMESA-N

MDL Number (MFCD)

MFCD15099411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

552.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.430

Distribution Coefficient, logD

3.243

Water Solubility, LogSw

-3.83

Polar Surface Area

99.725

Acid Dissociation Constant (pKa)

7.67

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

K784-9699 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with K784-9699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-9699?
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What is the minimum amount of K784-9699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-9699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-9699
  • 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 K784-9699 available by request