3448-8308 Screening compound: methyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-3,3,3-trifluoro-2-(phenylformamido)propanoate

3448-8308 Screening compound: methyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-3,3,3-trifluoro-2-(phenylformamido)propanoate
3448-8308 Screening compound: methyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-3,3,3-trifluoro-2-(phenylformamido)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-8308
methyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-3,3,3-trifluoro-2-(phenylformamido)propanoate

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

3448-8308

Molecular Formula

C19H18F3N3O3S (C19 H18 F3 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCc1c(C)sc(NC(C(F)(F)F)(C(OC)=O)NC(c2ccccc2)=O)c1C#N

InChI

InChI=1S/C19H18F3N3O3S/c1-4-13-11(2)29-16(14(13)10-23)25-18(17(27)28-3,19(20,21)22)24-15(26)12-8-6-5-7-9-12/h5-9,25H,4H2,1-3H3,(H,24,26)/t18-/m1/s1

InChI Key

DFLZCSBCCIPDCP-GOSISDBHSA-N

MDL Number (MFCD)

MFCD01952326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.307

Distribution Coefficient, logD

3.118

Water Solubility, LogSw

-4.43

Polar Surface Area

71.551

Acid Dissociation Constant (pKa)

6.24

Base Dissociation Constant (pKb)

-6.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with 3448-8308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-8308?
Check Price and Availability of 3448-8308, 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 3448-8308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-8308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-8308
  • 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 3448-8308 available by request