C036-0369 Screening compound: N-(4-bromo-3-methylphenyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide

C036-0369 Screening compound: N-(4-bromo-3-methylphenyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
C036-0369 Screening compound: N-(4-bromo-3-methylphenyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C036-0369
N-(4-bromo-3-methylphenyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide

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

C036-0369

Molecular Formula

C20H23BrFN3O3S (C20 H23 BrFN3 O3 S)

Compound Name

N-(4-bromo-3-methylphenyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide

IUPAC name

N-(4-bromo-3-methylphenyl)-2-[4-(4-fluorobenzenesulfonyl)-14-diazepan-1-yl]acetamide

SMILES

Cc(cc(cc1)NC(CN(CCC2)CCN2S(c(cc2)ccc2F)(=O)=O)=O)c1Br

InChI

InChI=1S/C20H23BrFN3O3S/c1-15-13-17(5-8-19(15)21)23-20(26)14-24-9-2-10-25(12-11-24)29(27,28)18-6-3-16(22)4-7-18/h3-8,13H,2,9-12,14H2,1H3,(H,23,26)

InChI Key

AKNZLJQTEKKBCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.186

Distribution Coefficient, logD

4.186

Water Solubility, LogSw

-4.09

Polar Surface Area

58.970

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

C036-0369 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C036-0369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C036-0369?
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What is the minimum amount of C036-0369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C036-0369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C036-0369
  • 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 C036-0369 available by request