6913-0052 Screening compound: ethyl 5-[3-(4,5-diphenyl-1H-imidazol-1-yl)-2-hydroxypropoxy]-1,2-dimethyl-1H-indole-3-carboxylate

6913-0052 Screening compound: ethyl 5-[3-(4,5-diphenyl-1H-imidazol-1-yl)-2-hydroxypropoxy]-1,2-dimethyl-1H-indole-3-carboxylate
6913-0052 Screening compound: ethyl 5-[3-(4,5-diphenyl-1H-imidazol-1-yl)-2-hydroxypropoxy]-1,2-dimethyl-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6913-0052
ethyl 5-[3-(4,5-diphenyl-1H-imidazol-1-yl)-2-hydroxypropoxy]-1,2-dimethyl-1H-indole-3-carboxylate

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

6913-0052

Molecular Formula

C31H31N3O4 (C31 H31 N3 O4)

Compound Name

ethyl 5-[3-(4,5-diphenyl-1H-imidazol-1-yl)-2-hydroxypropoxy]-1,2-dimethyl-1H-indole-3-carboxylate

IUPAC name

ethyl 5-[3-(45-diphenyl-1H-imidazol-1-yl)-2-hydroxypropoxy]-12-dimethyl-1H-indole-3-carboxylate

SMILES

CCOC(c1c(C)n(C)c(cc2)c1cc2OCC(Cn1c(-c2ccccc2)c(-c2ccccc2)nc1)O)=O

InChI

InChI=1S/C31H31N3O4/c1-4-37-31(36)28-21(2)33(3)27-16-15-25(17-26(27)28)38-19-24(35)18-34-20-32-29(22-11-7-5-8-12-22)30(34)23-13-9-6-10-14-23/h5-17,20,24,35H,4,18-19H2,1-3H3/t24-/m0/s1

InChI Key

MQZLYVMRRWSFPF-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD12966115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.919

Distribution Coefficient, logD

4.919

Water Solubility, LogSw

-4.67

Polar Surface Area

57.345

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.60

6913-0052 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

CNS Targets (44014 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6913-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6913-0052?
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What is the minimum amount of 6913-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6913-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6913-0052
  • 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 6913-0052 available by request