8010-4596 Screening compound: N-[(4-tert-butylphenyl)methyl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetamide

8010-4596 Screening compound: N-[(4-tert-butylphenyl)methyl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetamide
8010-4596 Screening compound: N-[(4-tert-butylphenyl)methyl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4596
N-[(4-tert-butylphenyl)methyl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-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

8010-4596

Molecular Formula

C30H31ClN2O3 (C30 H31 ClN2 O3)

Compound Name

N-[(4-tert-butylphenyl)methyl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetamide

IUPAC name

N-[(4-tert-butylphenyl)methyl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetamide

SMILES

CC(C)(C)c1ccc(CNC(Cc2c(C)n(C(c(cc3)ccc3Cl)=O)c(cc3)c2cc3OC)=O)cc1

InChI

InChI=1S/C30H31ClN2O3/c1-19-25(17-28(34)32-18-20-6-10-22(11-7-20)30(2,3)4)26-16-24(36-5)14-15-27(26)33(19)29(35)21-8-12-23(31)13-9-21/h6-16H,17-18H2,1-5H3,(H,32,34)

InChI Key

RRMSXVYTIFEAMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02029625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.04

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.871

Distribution Coefficient, logD

6.871

Water Solubility, LogSw

-6.42

Polar Surface Area

47.122

Acid Dissociation Constant (pKa)

12.61

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

8010-4596 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8010-4596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-4596?
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What is the minimum amount of 8010-4596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4596
  • 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 8010-4596 available by request