D314-0714 Screening compound: methyl 2-[(2-{3,5-dimethyl-4-[(4-methylphenyl)methyl]-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)formamido]-2-phenylacetate

D314-0714 Screening compound: methyl 2-[(2-{3,5-dimethyl-4-[(4-methylphenyl)methyl]-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)formamido]-2-phenylacetate
D314-0714 Screening compound: methyl 2-[(2-{3,5-dimethyl-4-[(4-methylphenyl)methyl]-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)formamido]-2-phenylacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D314-0714
methyl 2-[(2-{3,5-dimethyl-4-[(4-methylphenyl)methyl]-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)formamido]-2-phenylacetate

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

D314-0714

Molecular Formula

C27H28N4O3S (C27 H28 N4 O3 S)

Compound Name

methyl 2-[(2-{3,5-dimethyl-4-[(4-methylphenyl)methyl]-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)formamido]-2-phenylacetate

IUPAC name

methyl 2-[(2-{35-dimethyl-4-[(4-methylphenyl)methyl]-1H-pyrazol-1-yl}-4-methyl-13-thiazol-5-yl)formamido]-2-phenylacetate

SMILES

Cc1c(Cc2ccc(C)cc2)c(C)nn1-c1nc(C)c(C(NC(C(OC)=O)c2ccccc2)=O)s1

InChI

InChI=1S/C27H28N4O3S/c1-16-11-13-20(14-12-16)15-22-17(2)30-31(19(22)4)27-28-18(3)24(35-27)25(32)29-23(26(33)34-5)21-9-7-6-8-10-21/h6-14,23H,15H2,1-5H3,(H,29,32)/t23-/m1/s1

InChI Key

JEQDXUYFTFLJRH-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14818273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.892

Distribution Coefficient, logD

4.885

Water Solubility, LogSw

-4.69

Polar Surface Area

69.721

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

5.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

D314-0714 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral HBV Library (10007 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D314-0714 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D314-0714?
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What is the minimum amount of D314-0714 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D314-0714
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D314-0714
  • 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 D314-0714 available by request