6415-0271 Screening compound: N-(4-methoxyphenyl)-2-[2-methyl-3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]acetamide

6415-0271 Screening compound: N-(4-methoxyphenyl)-2-[2-methyl-3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]acetamide
6415-0271 Screening compound: N-(4-methoxyphenyl)-2-[2-methyl-3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6415-0271
N-(4-methoxyphenyl)-2-[2-methyl-3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]acetamide

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

6415-0271

Molecular Formula

C20H17F3N2O3 (C20 H17 F3 N2 O3)

Compound Name

N-(4-methoxyphenyl)-2-[2-methyl-3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]acetamide

IUPAC name

N-(4-methoxyphenyl)-2-[2-methyl-3-(222-trifluoroacetyl)-1H-indol-1-yl]acetamide

SMILES

Cc1c(C(C(F)(F)F)=O)c(cccc2)c2n1CC(Nc(cc1)ccc1OC)=O

InChI

InChI=1S/C20H17F3N2O3/c1-12-18(19(27)20(21,22)23)15-5-3-4-6-16(15)25(12)11-17(26)24-13-7-9-14(28-2)10-8-13/h3-10H,11H2,1-2H3,(H,24,26)

InChI Key

XYAVIJZWXUDVQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03928403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.255

Distribution Coefficient, logD

4.255

Water Solubility, LogSw

-4.41

Polar Surface Area

45.871

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

6415-0271 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6415-0271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6415-0271?
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What is the minimum amount of 6415-0271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6415-0271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6415-0271
  • 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 6415-0271 available by request