8015-4253 Screening compound: methyl 2-[3-hydroxy-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-indol-1-yl]acetate

8015-4253 Screening compound: methyl 2-[3-hydroxy-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-indol-1-yl]acetate
8015-4253 Screening compound: methyl 2-[3-hydroxy-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-indol-1-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-4253
methyl 2-[3-hydroxy-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-indol-1-yl]acetate

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

8015-4253

Molecular Formula

C12H10F3NO4 (C12 H10 F3 NO4)

Compound Name

methyl 2-[3-hydroxy-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-indol-1-yl]acetate

IUPAC name

methyl 2-[3-hydroxy-2-oxo-3-(trifluoromethyl)-23-dihydro-1H-indol-1-yl]acetate

SMILES

COC(CN(C(C1(C(F)(F)F)O)=O)c2c1cccc2)=O

InChI

InChI=1S/C12H10F3NO4/c1-20-9(17)6-16-8-5-3-2-4-7(8)11(19,10(16)18)12(13,14)15/h2-5,19H,6H2,1H3/t11-/m0/s1

InChI Key

MGHGTEAZTUMYFX-NSHDSACASA-N

MDL Number (MFCD)

MFCD00788205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.160

Distribution Coefficient, logD

1.160

Water Solubility, LogSw

-2.20

Polar Surface Area

51.450

Acid Dissociation Constant (pKa)

11.30

Base Dissociation Constant (pKb)

-4.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

8015-4253 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Soluble Diversity Library (15920 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8015-4253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-4253?
Check Price and Availability of 8015-4253, 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 8015-4253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-4253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-4253
  • 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 8015-4253 available by request