1488-0055 Screening compound: N-{2,2-dichloro-1-[(4-methylphenyl)amino]ethyl}benzamide

1488-0055 Screening compound: N-{2,2-dichloro-1-[(4-methylphenyl)amino]ethyl}benzamide
1488-0055 Screening compound: N-{2,2-dichloro-1-[(4-methylphenyl)amino]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1488-0055
N-{2,2-dichloro-1-[(4-methylphenyl)amino]ethyl}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

1488-0055

Molecular Formula

C16H16Cl2N2O (C16 H16 Cl2 N2 O)

Compound Name

N-{2,2-dichloro-1-[(4-methylphenyl)amino]ethyl}benzamide

IUPAC name

N-{22-dichloro-1-[(4-methylphenyl)amino]ethyl}benzamide

SMILES

Cc(cc1)ccc1NC(C(Cl)Cl)NC(c1ccccc1)=O

InChI

InChI=1S/C16H16Cl2N2O/c1-11-7-9-13(10-8-11)19-15(14(17)18)20-16(21)12-5-3-2-4-6-12/h2-10,14-15,19H,1H3,(H,20,21)/t15-/m1/s1

InChI Key

PFDFOMZKRNGGEG-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD00558386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.22

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.041

Distribution Coefficient, logD

4.036

Water Solubility, LogSw

-4.06

Polar Surface Area

33.450

Acid Dissociation Constant (pKa)

9.26

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

1488-0055 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1488-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1488-0055?
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What is the minimum amount of 1488-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1488-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1488-0055
  • 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 1488-0055 available by request