2389-0690 Screening compound: (2E)-N-{5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

2389-0690 Screening compound: (2E)-N-{5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
2389-0690 Screening compound: (2E)-N-{5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2389-0690
(2E)-N-{5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

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

2389-0690

Molecular Formula

C20H13Cl2F3N2OS (C20 H13 Cl2 F3 N2 OS)

Compound Name

(2E)-N-{5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

IUPAC name

(2E)-N-{5-[(34-dichlorophenyl)methyl]-13-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

SMILES

O=C(/C=C/c1cc(C(F)(F)F)ccc1)Nc1ncc(Cc(cc2)cc(Cl)c2Cl)s1

InChI

InChI=1S/C20H13Cl2F3N2OS/c21-16-6-4-13(10-17(16)22)9-15-11-26-19(29-15)27-18(28)7-5-12-2-1-3-14(8-12)20(23,24)25/h1-8,10-11H,9H2,(H,26,27,28)

InChI Key

UIJSAYOSNFPPOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01931758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.529

Distribution Coefficient, logD

7.527

Water Solubility, LogSw

-6.83

Polar Surface Area

33.413

Acid Dissociation Constant (pKa)

9.78

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

2389-0690 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2389-0690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2389-0690?
Check Price and Availability of 2389-0690, 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 2389-0690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2389-0690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2389-0690
  • 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 2389-0690 available by request