1227-0017 Screening compound: 4-bromo-N-(4-iodophenyl)-3-(piperidine-1-sulfonyl)benzamide

1227-0017 Screening compound: 4-bromo-N-(4-iodophenyl)-3-(piperidine-1-sulfonyl)benzamide
1227-0017 Screening compound: 4-bromo-N-(4-iodophenyl)-3-(piperidine-1-sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1227-0017
4-bromo-N-(4-iodophenyl)-3-(piperidine-1-sulfonyl)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

1227-0017

Molecular Formula

C18H18BrIN2O3S (C18 H18 BrIN2 O3 S)

Compound Name

4-bromo-N-(4-iodophenyl)-3-(piperidine-1-sulfonyl)benzamide

IUPAC name

4-bromo-N-(4-iodophenyl)-3-(piperidine-1-sulfonyl)benzamide

SMILES

O=C(c(cc1)cc(S(N2CCCCC2)(=O)=O)c1Br)Nc(cc1)ccc1I

InChI

InChI=1S/C18H18BrIN2O3S/c19-16-9-4-13(18(23)21-15-7-5-14(20)6-8-15)12-17(16)26(24,25)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11H2,(H,21,23)

InChI Key

FSBUPYWGDCMLKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00760886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.23

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.088

Distribution Coefficient, logD

4.947

Water Solubility, LogSw

-5.15

Polar Surface Area

55.041

Acid Dissociation Constant (pKa)

7.82

Base Dissociation Constant (pKb)

-3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

1227-0017 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Human GPCR Annotated Library (5539 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1227-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1227-0017?
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What is the minimum amount of 1227-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1227-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1227-0017
  • 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 1227-0017 available by request