C036-0056 Screening compound: 2-{4-[(4-BROMOPHENYL)SULFONYL]-1,4-DIAZEPAN-1-YL}-N-[3-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE

C036-0056 Screening compound: 2-{4-[(4-BROMOPHENYL)SULFONYL]-1,4-DIAZEPAN-1-YL}-N-[3-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE
C036-0056 Screening compound: 2-{4-[(4-BROMOPHENYL)SULFONYL]-1,4-DIAZEPAN-1-YL}-N-[3-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C036-0056
2-{4-[(4-BROMOPHENYL)SULFONYL]-1,4-DIAZEPAN-1-YL}-N-[3-(TRIFLUOROMETHYL)PHENYL]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

C036-0056

Molecular Formula

C20H21BrF3N3O3S (C20 H21 BrF3 N3 O3 S)

Compound Name

2-{4-[(4-BROMOPHENYL)SULFONYL]-1,4-DIAZEPAN-1-YL}-N-[3-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE

IUPAC name

n/a

SMILES

O=C(CN(CCC1)CCN1S(c(cc1)ccc1Br)(=O)=O)Nc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C20H21BrF3N3O3S/c21-16-5-7-18(8-6-16)31(29,30)27-10-2-9-26(11-12-27)14-19(28)25-17-4-1-3-15(13-17)20(22,23)24/h1,3-8,13H,2,9-12,14H2,(H,25,28)

InChI Key

WKOUIGHHLAIPAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.860

Distribution Coefficient, logD

4.859

Water Solubility, LogSw

-4.77

Polar Surface Area

58.970

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

C036-0056 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C036-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C036-0056?
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What is the minimum amount of C036-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C036-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C036-0056
  • 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 C036-0056 available by request