2729-0866 Screening compound: 3-acetyl-1-(4-chlorophenyl)-2-methyl-1H-indol-5-yl 2-(acetyloxy)benzoate

2729-0866 Screening compound: 3-acetyl-1-(4-chlorophenyl)-2-methyl-1H-indol-5-yl 2-(acetyloxy)benzoate
2729-0866 Screening compound: 3-acetyl-1-(4-chlorophenyl)-2-methyl-1H-indol-5-yl 2-(acetyloxy)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2729-0866
3-acetyl-1-(4-chlorophenyl)-2-methyl-1H-indol-5-yl 2-(acetyloxy)benzoate

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

2729-0866

Molecular Formula

C26H20ClNO5 (C26 H20 ClNO5)

Compound Name

3-acetyl-1-(4-chlorophenyl)-2-methyl-1H-indol-5-yl 2-(acetyloxy)benzoate

IUPAC name

3-acetyl-1-(4-chlorophenyl)-2-methyl-1H-indol-5-yl 2-(acetyloxy)benzoate

SMILES

CC(c(c1c2ccc(OC(c(cccc3)c3OC(C)=O)=O)c1)c(C)n2-c(cc1)ccc1Cl)=O

InChI

InChI=1S/C26H20ClNO5/c1-15-25(16(2)29)22-14-20(12-13-23(22)28(15)19-10-8-18(27)9-11-19)33-26(31)21-6-4-5-7-24(21)32-17(3)30/h4-14H,1-3H3

InChI Key

AMUFOCBDHKGMTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01948250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.9

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.233

Distribution Coefficient, logD

5.233

Water Solubility, LogSw

-5.72

Polar Surface Area

57.225

Acid Dissociation Constant (pKa)

21.32

Base Dissociation Constant (pKb)

-3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

2729-0866 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 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 2729-0866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2729-0866?
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What is the minimum amount of 2729-0866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2729-0866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2729-0866
  • 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 2729-0866 available by request