3334-5237 Screening compound: ethyl 1,2-dimethyl-5-{[(2,2,2-trifluoroacetyl)carbamoyl]oxy}-1H-indole-3-carboxylate

3334-5237 Screening compound: ethyl 1,2-dimethyl-5-{[(2,2,2-trifluoroacetyl)carbamoyl]oxy}-1H-indole-3-carboxylate
3334-5237 Screening compound: ethyl 1,2-dimethyl-5-{[(2,2,2-trifluoroacetyl)carbamoyl]oxy}-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3334-5237
ethyl 1,2-dimethyl-5-{[(2,2,2-trifluoroacetyl)carbamoyl]oxy}-1H-indole-3-carboxylate

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

3334-5237

Molecular Formula

C16H15F3N2O5 (C16 H15 F3 N2 O5)

Compound Name

ethyl 1,2-dimethyl-5-{[(2,2,2-trifluoroacetyl)carbamoyl]oxy}-1H-indole-3-carboxylate

IUPAC name

ethyl 12-dimethyl-5-{[(222-trifluoroacetyl)carbamoyl]oxy}-1H-indole-3-carboxylate

SMILES

CCOC(c1c(C)n(C)c(cc2)c1cc2OC(NC(C(F)(F)F)=O)=O)=O

InChI

InChI=1S/C16H15F3N2O5/c1-4-25-13(22)12-8(2)21(3)11-6-5-9(7-10(11)12)26-15(24)20-14(23)16(17,18)19/h5-7H,4H2,1-3H3,(H,20,23,24)

InChI Key

VYJIAQPIHQZKKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02250231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.396

Distribution Coefficient, logD

-0.387

Water Solubility, LogSw

-2.94

Polar Surface Area

68.792

Acid Dissociation Constant (pKa)

4.62

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with 3334-5237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3334-5237?
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What is the minimum amount of 3334-5237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3334-5237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3334-5237
  • 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 3334-5237 available by request