3455-0985 Screening compound: 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl acetate

3455-0985 Screening compound: 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl acetate
3455-0985 Screening compound: 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3455-0985
3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-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

3455-0985

Molecular Formula

C20H19NO4 (C20 H19 NO4)

Compound Name

3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl acetate

IUPAC name

3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl acetate

SMILES

CC(c(c1c2ccc(OC(C)=O)c1)c(C)n2-c(cc1)ccc1OC)=O

InChI

InChI=1S/C20H19NO4/c1-12-20(13(2)22)18-11-17(25-14(3)23)9-10-19(18)21(12)15-5-7-16(24-4)8-6-15/h5-11H,1-4H3

InChI Key

KDDORHXQXXHQRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00770216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.231

Distribution Coefficient, logD

3.231

Water Solubility, LogSw

-3.70

Polar Surface Area

44.304

Acid Dissociation Constant (pKa)

21.32

Base Dissociation Constant (pKb)

-2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

3455-0985 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 3455-0985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3455-0985?
Check Price and Availability of 3455-0985, 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 3455-0985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3455-0985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3455-0985
  • 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 3455-0985 available by request