2006-0159 Screening compound: N-[4-(4-tert-butylbenzamido)phenyl]-3,4-dichlorobenzamide

2006-0159 Screening compound: N-[4-(4-tert-butylbenzamido)phenyl]-3,4-dichlorobenzamide
2006-0159 Screening compound: N-[4-(4-tert-butylbenzamido)phenyl]-3,4-dichlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2006-0159
N-[4-(4-tert-butylbenzamido)phenyl]-3,4-dichlorobenzamide

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

2006-0159

Molecular Formula

C24H22Cl2N2O2 (C24 H22 Cl2 N2 O2)

Compound Name

N-[4-(4-tert-butylbenzamido)phenyl]-3,4-dichlorobenzamide

IUPAC name

N-[4-(4-tert-butylbenzamido)phenyl]-34-dichlorobenzamide

SMILES

CC(C)(C)c(cc1)ccc1C(Nc(cc1)ccc1NC(c(cc1)cc(Cl)c1Cl)=O)=O

InChI

InChI=1S/C24H22Cl2N2O2/c1-24(2,3)17-7-4-15(5-8-17)22(29)27-18-9-11-19(12-10-18)28-23(30)16-6-13-20(25)21(26)14-16/h4-14H,1-3H3,(H,27,29)(H,28,30)

InChI Key

CBADRIHIFHKWBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01136510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.930

Distribution Coefficient, logD

6.925

Water Solubility, LogSw

-6.63

Polar Surface Area

46.421

Acid Dissociation Constant (pKa)

9.26

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

2006-0159 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 2006-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2006-0159?
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What is the minimum amount of 2006-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2006-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2006-0159
  • 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 2006-0159 available by request