D364-1718 Screening compound: 3-butyl-5-[5-(4-ethoxyphenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

D364-1718 Screening compound: 3-butyl-5-[5-(4-ethoxyphenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one
D364-1718 Screening compound: 3-butyl-5-[5-(4-ethoxyphenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D364-1718
3-butyl-5-[5-(4-ethoxyphenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

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

D364-1718

Molecular Formula

C22H28N4O4S (C22 H28 N4 O4 S)

Compound Name

3-butyl-5-[5-(4-ethoxyphenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

IUPAC name

3-butyl-5-[5-(4-ethoxyphenyl)-1-propanoyl-45-dihydro-1H-pyrazol-3-yl]-6-hydroxy-2-sulfanylidene-1234-tetrahydropyrimidin-4-one

SMILES

CCCCN(C(C(C(CC1c(cc2)ccc2OCC)=NN1C(CC)=O)=C(N1)O)=O)C1=S

InChI

InChI=1S/C22H28N4O4S/c1-4-7-12-25-21(29)19(20(28)23-22(25)31)16-13-17(26(24-16)18(27)5-2)14-8-10-15(11-9-14)30-6-3/h8-11,17,28H,4-7,12-13H2,1-3H3,(H,23,31)/t17-/m1/s1

InChI Key

VZHMVPDRUJBFON-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14825275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.409

Distribution Coefficient, logD

-0.574

Water Solubility, LogSw

-3.43

Polar Surface Area

77.482

Acid Dissociation Constant (pKa)

3.42

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

D364-1718 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D364-1718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D364-1718?
Check Price and Availability of D364-1718, 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 D364-1718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D364-1718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D364-1718
  • 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 D364-1718 available by request