1699-0974 Screening compound: (E)-N-(3-chloro-2-methylphenyl)-1-[4-(trifluoromethoxy)phenyl]methanimine

1699-0974 Screening compound: (E)-N-(3-chloro-2-methylphenyl)-1-[4-(trifluoromethoxy)phenyl]methanimine
1699-0974 Screening compound: (E)-N-(3-chloro-2-methylphenyl)-1-[4-(trifluoromethoxy)phenyl]methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1699-0974
(E)-N-(3-chloro-2-methylphenyl)-1-[4-(trifluoromethoxy)phenyl]methanimine

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

1699-0974

Molecular Formula

C15H11ClF3NO (C15 H11 ClF3 NO)

Compound Name

(E)-N-(3-chloro-2-methylphenyl)-1-[4-(trifluoromethoxy)phenyl]methanimine

IUPAC name

(E)-N-(3-chloro-2-methylphenyl)-1-[4-(trifluoromethoxy)phenyl]methanimine

SMILES

Cc(c(/N=C/c(cc1)ccc1OC(F)(F)F)ccc1)c1Cl

InChI

InChI=1S/C15H11ClF3NO/c1-10-13(16)3-2-4-14(10)20-9-11-5-7-12(8-6-11)21-15(17,18)19/h2-9H,1H3

InChI Key

IUMCHHJQXXWSHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01030114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.71

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.423

Distribution Coefficient, logD

5.422

Water Solubility, LogSw

-6.23

Polar Surface Area

13.605

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

1699-0974 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1699-0974 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1699-0974?
Check Price and Availability of 1699-0974, 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 1699-0974 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1699-0974
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1699-0974
  • 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 1699-0974 available by request