2512-2068 Screening compound: 3-methyl-2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}butanoic acid

2512-2068 Screening compound: 3-methyl-2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}butanoic acid
2512-2068 Screening compound: 3-methyl-2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2512-2068
3-methyl-2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}butanoic acid

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

2512-2068

Molecular Formula

C12H13F3N2O4 (C12 H13 F3 N2 O4)

Compound Name

3-methyl-2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}butanoic acid

IUPAC name

3-methyl-2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}butanoic acid

SMILES

CC(C)C(C(O)=O)Nc(ccc(C(F)(F)F)c1)c1[N+]([O-])=O

InChI

InChI=1S/C12H13F3N2O4/c1-6(2)10(11(18)19)16-8-4-3-7(12(13,14)15)5-9(8)17(20)21/h3-6,10,16H,1-2H3,(H,18,19)/t10-/m0/s1

InChI Key

YKANMRVNHVYATD-JTQLQIEISA-N

MDL Number (MFCD)

MFCD00194243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.24

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.115

Distribution Coefficient, logD

-1.426

Water Solubility, LogSw

-2.79

Polar Surface Area

70.888

Acid Dissociation Constant (pKa)

3.86

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

2512-2068 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2512-2068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2512-2068?
Check Price and Availability of 2512-2068, 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 2512-2068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2512-2068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2512-2068
  • 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 2512-2068 available by request