1327-0034 Screening compound: N-(4-{[bromo(dichloro)methyl]sulfonyl}-2-nitrophenyl)-N-cyclohexylamine

1327-0034 Screening compound: N-(4-{[bromo(dichloro)methyl]sulfonyl}-2-nitrophenyl)-N-cyclohexylamine
1327-0034 Screening compound: N-(4-{[bromo(dichloro)methyl]sulfonyl}-2-nitrophenyl)-N-cyclohexylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1327-0034
N-(4-{[bromo(dichloro)methyl]sulfonyl}-2-nitrophenyl)-N-cyclohexylamine

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

1327-0034

Molecular Formula

C13H15BrCl2N2O4S (C13 H15 BrCl2 N2 O4 S)

Compound Name

N-(4-{[bromo(dichloro)methyl]sulfonyl}-2-nitrophenyl)-N-cyclohexylamine

IUPAC name

4-bromodichloromethanesulfonyl-N-cyclohexyl-2-nitroaniline

SMILES

[O-][N+](c(cc(cc1)S(C(Cl)(Cl)Br)(=O)=O)c1NC1CCCCC1)=O

InChI

InChI=1S/C13H15BrCl2N2O4S/c14-13(15,16)23(21,22)10-6-7-11(12(8-10)18(19)20)17-9-4-2-1-3-5-9/h6-9,17H,1-5H2

InChI Key

REBZZEDLLSTDTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00808020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.15

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.130

Distribution Coefficient, logD

5.130

Water Solubility, LogSw

-5.63

Polar Surface Area

72.353

Acid Dissociation Constant (pKa)

16.60

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.85

1327-0034 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1327-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1327-0034?
Check Price and Availability of 1327-0034, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1327-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1327-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1327-0034
  • 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 1327-0034 available by request