1889-1585 Screening compound: N-(2-bromo-4-methylphenyl)-2-(4-chloro-2-methylphenoxy)propanamide

1889-1585 Screening compound: N-(2-bromo-4-methylphenyl)-2-(4-chloro-2-methylphenoxy)propanamide
1889-1585 Screening compound: N-(2-bromo-4-methylphenyl)-2-(4-chloro-2-methylphenoxy)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1889-1585
N-(2-bromo-4-methylphenyl)-2-(4-chloro-2-methylphenoxy)propanamide

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

1889-1585

Molecular Formula

C17H17BrClNO2 (C17 H17 BrClNO2)

Compound Name

N-(2-bromo-4-methylphenyl)-2-(4-chloro-2-methylphenoxy)propanamide

IUPAC name

N-(2-bromo-4-methylphenyl)-2-(4-chloro-2-methylphenoxy)propanamide

SMILES

CC(C(Nc(ccc(C)c1)c1Br)=O)Oc(cc1)c(C)cc1Cl

InChI

InChI=1S/C17H17BrClNO2/c1-10-4-6-15(14(18)8-10)20-17(21)12(3)22-16-7-5-13(19)9-11(16)2/h4-9,12H,1-3H3,(H,20,21)/t12-/m0/s1

InChI Key

BYUPMGFIEGAGBJ-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD01034690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.68

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.840

Distribution Coefficient, logD

5.840

Water Solubility, LogSw

-5.97

Polar Surface Area

29.507

Acid Dissociation Constant (pKa)

11.32

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

1889-1585 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 1889-1585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1889-1585?
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What is the minimum amount of 1889-1585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1889-1585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1889-1585
  • 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 1889-1585 available by request