8010-9374 Screening compound: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-{[4-(propan-2-yl)phenyl]methyl}acetamide

8010-9374 Screening compound: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-{[4-(propan-2-yl)phenyl]methyl}acetamide
8010-9374 Screening compound: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-{[4-(propan-2-yl)phenyl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-9374
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-{[4-(propan-2-yl)phenyl]methyl}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

8010-9374

Molecular Formula

C29H29ClN2O3 (C29 H29 ClN2 O3)

Compound Name

2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-{[4-(propan-2-yl)phenyl]methyl}acetamide

IUPAC name

2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-{[4-(propan-2-yl)phenyl]methyl}acetamide

SMILES

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

InChI

InChI=1S/C29H29ClN2O3/c1-18(2)21-7-5-20(6-8-21)17-31-28(33)16-25-19(3)32(27-14-13-24(35-4)15-26(25)27)29(34)22-9-11-23(30)12-10-22/h5-15,18H,16-17H2,1-4H3,(H,31,33)

InChI Key

IQOYBCLXSRUXOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02615294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.01

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

6.414

Distribution Coefficient, logD

6.414

Water Solubility, LogSw

-6.48

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

24.10

8010-9374 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 8010-9374 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-9374?
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What is the minimum amount of 8010-9374 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-9374
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-9374
  • 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 8010-9374 available by request