6191-0616 Screening compound: 4-[(3-chloro-4-hydroxy-5-methoxyphenyl)(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-3-methyl-1H-pyrazol-5-ol

6191-0616 Screening compound: 4-[(3-chloro-4-hydroxy-5-methoxyphenyl)(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-3-methyl-1H-pyrazol-5-ol
6191-0616 Screening compound: 4-[(3-chloro-4-hydroxy-5-methoxyphenyl)(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-3-methyl-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6191-0616
4-[(3-chloro-4-hydroxy-5-methoxyphenyl)(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-3-methyl-1H-pyrazol-5-ol

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

6191-0616

Molecular Formula

C16H17ClN4O4 (C16 H17 ClN4 O4)

Compound Name

4-[(3-chloro-4-hydroxy-5-methoxyphenyl)(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-3-methyl-1H-pyrazol-5-ol

IUPAC name

4-[(3-chloro-4-hydroxy-5-methoxyphenyl)(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-3-methyl-1H-pyrazol-5-ol

SMILES

Cc1n[nH]c(O)c1C(c(c(C)n[nH]1)c1O)c(cc1OC)cc(Cl)c1O

InChI

InChI=1S/C16H17ClN4O4/c1-6-11(15(23)20-18-6)13(12-7(2)19-21-16(12)24)8-4-9(17)14(22)10(5-8)25-3/h4-5,13,22H,1-3H3,(H2,18,20,23)(H2,19,21,24)

InChI Key

GXCCKNAIYDGJME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05240792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.79

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.747

Distribution Coefficient, logD

1.525

Water Solubility, LogSw

-2.44

Polar Surface Area

103.402

Acid Dissociation Constant (pKa)

7.57

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

6191-0616 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

Carbonic Anhydrase II Library (4939 compounds)

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 6191-0616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6191-0616?
Check Price and Availability of 6191-0616, 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 6191-0616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6191-0616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6191-0616
  • 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 6191-0616 available by request