C698-0409 Screening compound: N-(4-bromo-2-fluorophenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamide

C698-0409 Screening compound: N-(4-bromo-2-fluorophenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamide
C698-0409 Screening compound: N-(4-bromo-2-fluorophenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C698-0409
N-(4-bromo-2-fluorophenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamide

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

C698-0409

Molecular Formula

C15H11BrFN3O4S (C15 H11 BrFN3 O4 S)

Compound Name

N-(4-bromo-2-fluorophenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamide

IUPAC name

N-(4-bromo-2-fluorophenyl)-24-dioxo-2345-tetrahydro-1H-15-benzodiazepine-7-sulfonamide

SMILES

O=C(C1)Nc(ccc(S(Nc(ccc(Br)c2)c2F)(=O)=O)c2)c2NC1=O

InChI

InChI=1S/C15H11BrFN3O4S/c16-8-1-3-11(10(17)5-8)20-25(23,24)9-2-4-12-13(6-9)19-15(22)7-14(21)18-12/h1-6,20H,7H2,(H,18,21)(H,19,22)

InChI Key

ZDRXIFKWSRWKEV-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.24

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.506

Distribution Coefficient, logD

-0.081

Water Solubility, LogSw

-2.45

Polar Surface Area

90.242

Acid Dissociation Constant (pKa)

5.82

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.67

References: we are preparing a list of scientific research reports with C698-0409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C698-0409?
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What is the minimum amount of C698-0409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C698-0409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C698-0409
  • 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 C698-0409 available by request