3448-8303 Screening compound: ethyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropanoate

3448-8303 Screening compound: ethyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropanoate
3448-8303 Screening compound: ethyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-8303
ethyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropanoate

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

3448-8303

Molecular Formula

C16H20F3N3O4S (C16 H20 F3 N3 O4 S)

Compound Name

ethyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropanoate

IUPAC name

ethyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-2-[(ethoxycarbonyl)amino]-333-trifluoropropanoate

SMILES

CCc1c(C)sc(NC(C(F)(F)F)(C(OCC)=O)NC(OCC)=O)c1C#N

InChI

InChI=1S/C16H20F3N3O4S/c1-5-10-9(4)27-12(11(10)8-20)21-15(16(17,18)19,13(23)25-6-2)22-14(24)26-7-3/h21H,5-7H2,1-4H3,(H,22,24)/t15-/m0/s1

InChI Key

QRNKZGOCNUELPG-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD01944486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.069

Distribution Coefficient, logD

3.470

Water Solubility, LogSw

-4.10

Polar Surface Area

79.484

Acid Dissociation Constant (pKa)

6.93

Base Dissociation Constant (pKb)

-6.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.30

3448-8303 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3448-8303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-8303?
Check Price and Availability of 3448-8303, 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 3448-8303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-8303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-8303
  • 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 3448-8303 available by request