D314-0451 Screening compound: methyl 2-[(2-{4-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)formamido]acetate

D314-0451 Screening compound: methyl 2-[(2-{4-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)formamido]acetate
D314-0451 Screening compound: methyl 2-[(2-{4-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)formamido]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D314-0451
methyl 2-[(2-{4-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)formamido]acetate

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

D314-0451

Molecular Formula

C21H24N4O4S (C21 H24 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(Cc(cc2)ccc2OC)c(C)nn1-c1nc(C)c(C(NCC(OC)=O)=O)s1

InChI

InChI=1S/C21H24N4O4S/c1-12-17(10-15-6-8-16(28-4)9-7-15)14(3)25(24-12)21-23-13(2)19(30-21)20(27)22-11-18(26)29-5/h6-9H,10-11H2,1-5H3,(H,22,27)

InChI Key

IVIOBPWEJTTZDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.050

Distribution Coefficient, logD

3.044

Water Solubility, LogSw

-3.35

Polar Surface Area

77.590

Acid Dissociation Constant (pKa)

12.02

Base Dissociation Constant (pKb)

5.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D314-0451 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 D314-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D314-0451?
Check Price and Availability of D314-0451, 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 D314-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D314-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D314-0451
  • 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 D314-0451 available by request