C036-0285 Screening compound: 2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]-N-(3-methoxyphenyl)acetamide

C036-0285 Screening compound: 2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]-N-(3-methoxyphenyl)acetamide
C036-0285 Screening compound: 2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]-N-(3-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C036-0285
2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]-N-(3-methoxyphenyl)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

C036-0285

Molecular Formula

C20H24FN3O4S (C20 H24 FN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(NC(CN(CCC2)CCN2S(c(cc2)ccc2F)(=O)=O)=O)c1

InChI

InChI=1S/C20H24FN3O4S/c1-28-18-5-2-4-17(14-18)22-20(25)15-23-10-3-11-24(13-12-23)29(26,27)19-8-6-16(21)7-9-19/h2,4-9,14H,3,10-13,15H2,1H3,(H,22,25)

InChI Key

UFSSEHKZUKGWOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.078

Distribution Coefficient, logD

3.078

Water Solubility, LogSw

-3.40

Polar Surface Area

66.514

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

C036-0285 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Human Proteases Annotated Library (2868 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C036-0285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C036-0285?
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What is the minimum amount of C036-0285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C036-0285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C036-0285
  • 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 C036-0285 available by request