8020-2866 Screening compound: 3-[2-acetamido-3-(1H-indol-3-yl)propanamido]-N,N-diethyl-4,5-dimethoxybenzamide

8020-2866 Screening compound: 3-[2-acetamido-3-(1H-indol-3-yl)propanamido]-N,N-diethyl-4,5-dimethoxybenzamide
8020-2866 Screening compound: 3-[2-acetamido-3-(1H-indol-3-yl)propanamido]-N,N-diethyl-4,5-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2866
3-[2-acetamido-3-(1H-indol-3-yl)propanamido]-N,N-diethyl-4,5-dimethoxybenzamide

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

8020-2866

Molecular Formula

C26H32N4O5 (C26 H32 N4 O5)

Compound Name

3-[2-acetamido-3-(1H-indol-3-yl)propanamido]-N,N-diethyl-4,5-dimethoxybenzamide

IUPAC name

3-[2-acetamido-3-(1H-indol-3-yl)propanamido]-NN-diethyl-45-dimethoxybenzamide

SMILES

CCN(CC)C(c(cc1NC(C(Cc2c[nH]c3c2cccc3)NC(C)=O)=O)cc(OC)c1OC)=O

InChI

InChI=1S/C26H32N4O5/c1-6-30(7-2)26(33)17-12-21(24(35-5)23(14-17)34-4)29-25(32)22(28-16(3)31)13-18-15-27-20-11-9-8-10-19(18)20/h8-12,14-15,22,27H,6-7,13H2,1-5H3,(H,28,31)(H,29,32)/t22-/m0/s1

InChI Key

VHPJEQGTPCMQGH-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD12972486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.411

Distribution Coefficient, logD

2.409

Water Solubility, LogSw

-3.04

Polar Surface Area

87.997

Acid Dissociation Constant (pKa)

9.88

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

8020-2866 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Antibacterial Compounds Library (13827 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8020-2866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2866?
Check Price and Availability of 8020-2866, 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 8020-2866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2866
  • 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 8020-2866 available by request