6191-0637 Screening compound: methyl 2-{4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenoxy}acetate

6191-0637 Screening compound: methyl 2-{4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenoxy}acetate
6191-0637 Screening compound: methyl 2-{4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenoxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6191-0637
methyl 2-{4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenoxy}acetate

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

6191-0637

Molecular Formula

C18H20N4O5 (C18 H20 N4 O5)

Compound Name

methyl 2-{4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenoxy}acetate

IUPAC name

methyl 2-{4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenoxy}acetate

SMILES

Cc1n[nH]c(O)c1C(c(c(C)n[nH]1)c1O)c(cc1)ccc1OCC(OC)=O

InChI

InChI=1S/C18H20N4O5/c1-9-14(17(24)21-19-9)16(15-10(2)20-22-18(15)25)11-4-6-12(7-5-11)27-8-13(23)26-3/h4-7,16H,8H2,1-3H3,(H2,19,21,24)(H2,20,22,25)

InChI Key

GSMBUENEANXJIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05240791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.631

Distribution Coefficient, logD

0.408

Water Solubility, LogSw

-1.64

Polar Surface Area

108.371

Acid Dissociation Constant (pKa)

7.57

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

6191-0637 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6191-0637 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6191-0637?
Check Price and Availability of 6191-0637, 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 6191-0637 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6191-0637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6191-0637
  • 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 6191-0637 available by request