6913-0014 Screening compound: ETHYL 5-[3-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-2-HYDROXYPROPOXY]-1,2-DIMETHYL-1H-INDOLE-3-CARBOXYLATE

6913-0014 Screening compound: ETHYL 5-[3-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-2-HYDROXYPROPOXY]-1,2-DIMETHYL-1H-INDOLE-3-CARBOXYLATE
6913-0014 Screening compound: ETHYL 5-[3-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-2-HYDROXYPROPOXY]-1,2-DIMETHYL-1H-INDOLE-3-CARBOXYLATE alternative view

Chemical Structure Depiction of ChemDiv screening compound 6913-0014
ETHYL 5-[3-(3,5-DIMETHYL-1H-PYRAZOL-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

6913-0014

Molecular Formula

C21H27N3O4 (C21 H27 N3 O4)

Compound Name

ETHYL 5-[3-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-2-HYDROXYPROPOXY]-1,2-DIMETHYL-1H-INDOLE-3-CARBOXYLATE

IUPAC name

n/a

SMILES

CCOC(c1c(C)n(C)c(cc2)c1cc2OCC(Cn1nc(C)cc1C)O)=O

InChI

InChI=1S/C21H27N3O4/c1-6-27-21(26)20-15(4)23(5)19-8-7-17(10-18(19)20)28-12-16(25)11-24-14(3)9-13(2)22-24/h7-10,16,25H,6,11-12H2,1-5H3/t16-/m0/s1

InChI Key

JQVVYVAFXFRXTE-INIZCTEOSA-N

MDL Number (MFCD)

MFCD05239869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.250

Distribution Coefficient, logD

2.250

Water Solubility, LogSw

-2.66

Polar Surface Area

61.128

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

6913-0014 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 6913-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6913-0014?
Check Price and Availability of 6913-0014, 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 6913-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6913-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6913-0014
  • 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 6913-0014 available by request