4929-0005 Screening compound: ethyl 1-benzyl-5-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]-2-methyl-1H-indole-3-carboxylate

4929-0005 Screening compound: ethyl 1-benzyl-5-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]-2-methyl-1H-indole-3-carboxylate
4929-0005 Screening compound: ethyl 1-benzyl-5-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]-2-methyl-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4929-0005
ethyl 1-benzyl-5-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]-2-methyl-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

4929-0005

Molecular Formula

C27H30BrN3O4 (C27 H30 BrN3 O4)

Compound Name

ethyl 1-benzyl-5-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]-2-methyl-1H-indole-3-carboxylate

IUPAC name

ethyl 1-benzyl-5-[3-(4-bromo-35-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]-2-methyl-1H-indole-3-carboxylate

SMILES

CCOC(c1c(C)n(Cc2ccccc2)c(cc2)c1cc2OCC(Cn1nc(C)c(Br)c1C)O)=O

InChI

InChI=1S/C27H30BrN3O4/c1-5-34-27(33)25-18(3)30(14-20-9-7-6-8-10-20)24-12-11-22(13-23(24)25)35-16-21(32)15-31-19(4)26(28)17(2)29-31/h6-13,21,32H,5,14-16H2,1-4H3/t21-/m0/s1

InChI Key

UKLWLGWHVACXBU-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03130670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.46

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

4.976

Distribution Coefficient, logD

4.976

Water Solubility, LogSw

-4.76

Polar Surface Area

60.593

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

0.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

4929-0005 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4929-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4929-0005?
Check Price and Availability of 4929-0005, 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 4929-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4929-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4929-0005
  • 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 4929-0005 available by request