1683-5911 Screening compound: 3-(4-chlorophenoxy)-8-methyl-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 5-chloro-1,3-diphenyl-1H-pyrazole-4-carboxylate

1683-5911 Screening compound: 3-(4-chlorophenoxy)-8-methyl-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 5-chloro-1,3-diphenyl-1H-pyrazole-4-carboxylate
1683-5911 Screening compound: 3-(4-chlorophenoxy)-8-methyl-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 5-chloro-1,3-diphenyl-1H-pyrazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1683-5911
3-(4-chlorophenoxy)-8-methyl-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 5-chloro-1,3-diphenyl-1H-pyrazole-4-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

1683-5911

Molecular Formula

C33H19Cl2F3N2O5 (C33 H19 Cl2 F3 N2 O5)

Compound Name

3-(4-chlorophenoxy)-8-methyl-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 5-chloro-1,3-diphenyl-1H-pyrazole-4-carboxylate

IUPAC name

3-(4-chlorophenoxy)-8-methyl-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 5-chloro-13-diphenyl-1H-pyrazole-4-carboxylate

SMILES

Cc(c(OC(C(F)(F)F)=C1Oc(cc2)ccc2Cl)c(cc2)C1=O)c2OC(c(c(-c1ccccc1)nn1-c2ccccc2)c1Cl)=O

InChI

InChI=1S/C33H19Cl2F3N2O5/c1-18-24(17-16-23-27(41)29(30(33(36,37)38)45-28(18)23)43-22-14-12-20(34)13-15-22)44-32(42)25-26(19-8-4-2-5-9-19)39-40(31(25)35)21-10-6-3-7-11-21/h2-17H,1H3

InChI Key

JCCPLKXKMYASFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01034504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

651.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

8.197

Distribution Coefficient, logD

8.197

Water Solubility, LogSw

-6.61

Polar Surface Area

62.485

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.10

1683-5911 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1683-5911 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1683-5911?
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What is the minimum amount of 1683-5911 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1683-5911
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1683-5911
  • 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 1683-5911 available by request