6623-2112 Screening compound: 1,3-diethyl 2-(1-amino-2,2,2-trifluoroethylidene)propanedioate

6623-2112 Screening compound: 1,3-diethyl 2-(1-amino-2,2,2-trifluoroethylidene)propanedioate
6623-2112 Screening compound: 1,3-diethyl 2-(1-amino-2,2,2-trifluoroethylidene)propanedioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6623-2112
1,3-diethyl 2-(1-amino-2,2,2-trifluoroethylidene)propanedioate

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

6623-2112

Molecular Formula

C9H12F3NO4 (C9 H12 F3 NO4)

Compound Name

1,3-diethyl 2-(1-amino-2,2,2-trifluoroethylidene)propanedioate

IUPAC name

13-diethyl 2-(1-amino-222-trifluoroethylidene)propanedioate

SMILES

CCOC(C(C(OCC)=O)=C(C(F)(F)F)N)=O

InChI

InChI=1S/C9H12F3NO4/c1-3-16-7(14)5(8(15)17-4-2)6(13)9(10,11)12/h3-4,13H2,1-2H3

InChI Key

UCZJFVPDDKIJMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02105490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

255.19

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.774

Distribution Coefficient, logD

-1.325

Water Solubility, LogSw

-1.46

Polar Surface Area

63.159

Acid Dissociation Constant (pKa)

4.30

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

6623-2112 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6623-2112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6623-2112?
Check Price and Availability of 6623-2112, 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 6623-2112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6623-2112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6623-2112
  • 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 6623-2112 available by request