6049-2322 Screening compound: 1,4-dimethyl 2-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}benzene-1,4-dicarboxylate

6049-2322 Screening compound: 1,4-dimethyl 2-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}benzene-1,4-dicarboxylate
6049-2322 Screening compound: 1,4-dimethyl 2-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}benzene-1,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-2322
1,4-dimethyl 2-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}benzene-1,4-dicarboxylate

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

6049-2322

Molecular Formula

C17H16F3N3O5 (C17 H16 F3 N3 O5)

Compound Name

1,4-dimethyl 2-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}benzene-1,4-dicarboxylate

IUPAC name

14-dimethyl 2-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}benzene-14-dicarboxylate

SMILES

Cc1cc(C(F)(F)F)nn1CC(Nc(cc(cc1)C(OC)=O)c1C(OC)=O)=O

InChI

InChI=1S/C17H16F3N3O5/c1-9-6-13(17(18,19)20)22-23(9)8-14(24)21-12-7-10(15(25)27-2)4-5-11(12)16(26)28-3/h4-7H,8H2,1-3H3,(H,21,24)

InChI Key

ZXRDQOOGUIGJGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02606210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.352

Distribution Coefficient, logD

2.259

Water Solubility, LogSw

-3.09

Polar Surface Area

78.967

Acid Dissociation Constant (pKa)

8.02

Base Dissociation Constant (pKb)

-3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

6049-2322 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 6049-2322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-2322?
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What is the minimum amount of 6049-2322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-2322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-2322
  • 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 6049-2322 available by request