D314-0712 Screening compound: methyl 2-[(2-{3,5-dimethyl-4-[(4-methylphenyl)methyl]-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)formamido]propanoate

D314-0712 Screening compound: methyl 2-[(2-{3,5-dimethyl-4-[(4-methylphenyl)methyl]-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)formamido]propanoate
D314-0712 Screening compound: methyl 2-[(2-{3,5-dimethyl-4-[(4-methylphenyl)methyl]-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)formamido]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D314-0712
methyl 2-[(2-{3,5-dimethyl-4-[(4-methylphenyl)methyl]-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)formamido]propanoate

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

D314-0712

Molecular Formula

C22H26N4O3S (C22 H26 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]propanoate

IUPAC name

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

SMILES

CC(C(OC)=O)NC(c1c(C)nc(-n2nc(C)c(Cc3ccc(C)cc3)c2C)s1)=O

InChI

InChI=1S/C22H26N4O3S/c1-12-7-9-17(10-8-12)11-18-13(2)25-26(16(18)5)22-24-14(3)19(30-22)20(27)23-15(4)21(28)29-6/h7-10,15H,11H2,1-6H3,(H,23,27)/t15-/m0/s1

InChI Key

MZVFGSZAODHMSZ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14818272

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

426.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.877

Distribution Coefficient, logD

3.874

Water Solubility, LogSw

-4.11

Polar Surface Area

69.804

Acid Dissociation Constant (pKa)

12.00

Base Dissociation Constant (pKb)

5.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

D314-0712 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D314-0712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D314-0712?
Check Price and Availability of D314-0712, 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 D314-0712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D314-0712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D314-0712
  • 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 D314-0712 available by request