6179-0046 Screening compound: 2-[(3-acetyl-1-benzyl-5,6,7-trichloro-2-methyl-1H-indol-4-yl)oxy]acetic acid

6179-0046 Screening compound: 2-[(3-acetyl-1-benzyl-5,6,7-trichloro-2-methyl-1H-indol-4-yl)oxy]acetic acid
6179-0046 Screening compound: 2-[(3-acetyl-1-benzyl-5,6,7-trichloro-2-methyl-1H-indol-4-yl)oxy]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6179-0046
2-[(3-acetyl-1-benzyl-5,6,7-trichloro-2-methyl-1H-indol-4-yl)oxy]acetic 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

6179-0046

Molecular Formula

C20H16Cl3NO4 (C20 H16 Cl3 NO4)

Compound Name

2-[(3-acetyl-1-benzyl-5,6,7-trichloro-2-methyl-1H-indol-4-yl)oxy]acetic acid

IUPAC name

2-[(3-acetyl-1-benzyl-567-trichloro-2-methyl-1H-indol-4-yl)oxy]acetic acid

SMILES

CC(c(c1c(c(Cl)c2Cl)OCC(O)=O)c(C)n(Cc3ccccc3)c1c2Cl)=O

InChI

InChI=1S/C20H16Cl3NO4/c1-10-14(11(2)25)15-19(24(10)8-12-6-4-3-5-7-12)17(22)16(21)18(23)20(15)28-9-13(26)27/h3-7H,8-9H2,1-2H3,(H,26,27)

InChI Key

FRGINJQERABLDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02934700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.71

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.086

Distribution Coefficient, logD

0.697

Water Solubility, LogSw

-5.24

Polar Surface Area

51.098

Acid Dissociation Constant (pKa)

3.01

Base Dissociation Constant (pKb)

-3.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

6179-0046 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6179-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6179-0046?
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What is the minimum amount of 6179-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6179-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6179-0046
  • 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 6179-0046 available by request