3448-6717 Screening compound: methyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(methoxycarbonyl)amino]propanoate

3448-6717 Screening compound: methyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(methoxycarbonyl)amino]propanoate
3448-6717 Screening compound: methyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(methoxycarbonyl)amino]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-6717
methyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(methoxycarbonyl)amino]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

3448-6717

Molecular Formula

C15H18F3N3O5S (C15 H18 F3 N3 O5 S)

Compound Name

methyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(methoxycarbonyl)amino]propanoate

IUPAC name

methyl 2-[(3-carbamoyl-4567-tetrahydro-1-benzothiophen-2-yl)amino]-333-trifluoro-2-[(methoxycarbonyl)amino]propanoate

SMILES

COC(C(C(F)(F)F)(NC(OC)=O)Nc1c(C(N)=O)c(CCCC2)c2s1)=O

InChI

InChI=1S/C15H18F3N3O5S/c1-25-12(23)14(15(16,17)18,21-13(24)26-2)20-11-9(10(19)22)7-5-3-4-6-8(7)27-11/h20H,3-6H2,1-2H3,(H2,19,22)(H,21,24)/t14-/m0/s1

InChI Key

IAEBAPUAKHZDCS-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD01955697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.470

Distribution Coefficient, logD

0.442

Water Solubility, LogSw

-1.75

Polar Surface Area

97.247

Acid Dissociation Constant (pKa)

6.41

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.30

3448-6717 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 3448-6717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-6717?
Check Price and Availability of 3448-6717, 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 3448-6717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-6717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-6717
  • 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 3448-6717 available by request