3448-6713 Screening compound: ethyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-3,3,3-trifluoro-2-propanamidopropanoate

3448-6713 Screening compound: ethyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-3,3,3-trifluoro-2-propanamidopropanoate
3448-6713 Screening compound: ethyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-3,3,3-trifluoro-2-propanamidopropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-6713
ethyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-3,3,3-trifluoro-2-propanamidopropanoate

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

3448-6713

Molecular Formula

C16H20F3N3O3S (C16 H20 F3 N3 O3 S)

Compound Name

ethyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-3,3,3-trifluoro-2-propanamidopropanoate

IUPAC name

ethyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-333-trifluoro-2-propanamidopropanoate

SMILES

CCC(NC(C(F)(F)F)(C(OCC)=O)Nc(sc(C)c1CC)c1C#N)=O

InChI

InChI=1S/C16H20F3N3O3S/c1-5-10-9(4)26-13(11(10)8-20)22-15(16(17,18)19,14(24)25-7-3)21-12(23)6-2/h22H,5-7H2,1-4H3,(H,21,23)/t15-/m1/s1

InChI Key

FRLBXXPJYRHVER-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD01947962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.685

Distribution Coefficient, logD

3.304

Water Solubility, LogSw

-4.13

Polar Surface Area

71.189

Acid Dissociation Constant (pKa)

7.25

Base Dissociation Constant (pKb)

-6.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.30

3448-6713 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3448-6713 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-6713?
Check Price and Availability of 3448-6713, 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 3448-6713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-6713
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-6713
  • 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 3448-6713 available by request