8012-9604 Screening compound: methyl 3,3,3-trifluoro-2-(phenylamino)-2-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)propanoate

8012-9604 Screening compound: methyl 3,3,3-trifluoro-2-(phenylamino)-2-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)propanoate
8012-9604 Screening compound: methyl 3,3,3-trifluoro-2-(phenylamino)-2-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9604
methyl 3,3,3-trifluoro-2-(phenylamino)-2-({[4-(trifluoromethoxy)phenyl]carbamoyl}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

8012-9604

Molecular Formula

C18H15F6N3O4 (C18 H15 F6 N3 O4)

Compound Name

methyl 3,3,3-trifluoro-2-(phenylamino)-2-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)propanoate

IUPAC name

methyl 333-trifluoro-2-(phenylamino)-2-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)propanoate

SMILES

COC(C(C(F)(F)F)(NC(Nc(cc1)ccc1OC(F)(F)F)=O)Nc1ccccc1)=O

InChI

InChI=1S/C18H15F6N3O4/c1-30-14(28)16(17(19,20)21,26-12-5-3-2-4-6-12)27-15(29)25-11-7-9-13(10-8-11)31-18(22,23)24/h2-10,26H,1H3,(H2,25,27,29)/t16-/m0/s1

InChI Key

KNPBQBVYSPGTJH-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03308372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.250

Distribution Coefficient, logD

5.224

Water Solubility, LogSw

-5.28

Polar Surface Area

69.849

Acid Dissociation Constant (pKa)

8.61

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

8012-9604 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 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 8012-9604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9604?
Check Price and Availability of 8012-9604, 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 8012-9604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9604
  • 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 8012-9604 available by request