6228-1963 Screening compound: 4-chloro-1-{5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl}-3,5-dimethyl-1H-pyrazole

6228-1963 Screening compound: 4-chloro-1-{5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl}-3,5-dimethyl-1H-pyrazole
6228-1963 Screening compound: 4-chloro-1-{5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl}-3,5-dimethyl-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-1963
4-chloro-1-{5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl}-3,5-dimethyl-1H-pyrazole

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

6228-1963

Molecular Formula

C18H16Cl2N2O3 (C18 H16 Cl2 N2 O3)

Compound Name

4-chloro-1-{5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl}-3,5-dimethyl-1H-pyrazole

IUPAC name

4-chloro-1-{5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl}-35-dimethyl-1H-pyrazole

SMILES

Cc(n(C(c1ccc(COc(cc2)cc(C)c2Cl)o1)=O)nc1C)c1Cl

InChI

InChI=1S/C18H16Cl2N2O3/c1-10-8-13(4-6-15(10)19)24-9-14-5-7-16(25-14)18(23)22-12(3)17(20)11(2)21-22/h4-8H,9H2,1-3H3

InChI Key

QMDBWXMLZBSWDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02175770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.604

Distribution Coefficient, logD

4.604

Water Solubility, LogSw

-4.73

Polar Surface Area

42.921

Acid Dissociation Constant (pKa)

27.45

Base Dissociation Constant (pKb)

-1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

6228-1963 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6228-1963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-1963?
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What is the minimum amount of 6228-1963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-1963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-1963
  • 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 6228-1963 available by request