0687-0323 Screening compound: N-{2,2,2-trichloro-1-[(2,5-dimethylphenyl)amino]ethyl}heptanamide

0687-0323 Screening compound: N-{2,2,2-trichloro-1-[(2,5-dimethylphenyl)amino]ethyl}heptanamide
0687-0323 Screening compound: N-{2,2,2-trichloro-1-[(2,5-dimethylphenyl)amino]ethyl}heptanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0687-0323
N-{2,2,2-trichloro-1-[(2,5-dimethylphenyl)amino]ethyl}heptanamide

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

0687-0323

Molecular Formula

C17H25Cl3N2O (C17 H25 Cl3 N2 O)

Compound Name

N-{2,2,2-trichloro-1-[(2,5-dimethylphenyl)amino]ethyl}heptanamide

IUPAC name

N-{222-trichloro-1-[(25-dimethylphenyl)amino]ethyl}heptanamide

SMILES

CCCCCCC(NC(C(Cl)(Cl)Cl)Nc1c(C)ccc(C)c1)=O

InChI

InChI=1S/C17H25Cl3N2O/c1-4-5-6-7-8-15(23)22-16(17(18,19)20)21-14-11-12(2)9-10-13(14)3/h9-11,16,21H,4-8H2,1-3H3,(H,22,23)/t16-/m1/s1

InChI Key

GKHLUIWFRMLQLO-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD00392141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.76

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.284

Distribution Coefficient, logD

5.268

Water Solubility, LogSw

-5.57

Polar Surface Area

32.810

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.80

0687-0323 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 0687-0323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0687-0323?
Check Price and Availability of 0687-0323, 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 0687-0323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0687-0323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0687-0323
  • 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 0687-0323 available by request