D364-1403 Screening compound: 3-benzyl-5-[5-(4-ethoxyphenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1,2,3,4-tetrahydropyrimidine-2,4-dione

D364-1403 Screening compound: 3-benzyl-5-[5-(4-ethoxyphenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1,2,3,4-tetrahydropyrimidine-2,4-dione
D364-1403 Screening compound: 3-benzyl-5-[5-(4-ethoxyphenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D364-1403
3-benzyl-5-[5-(4-ethoxyphenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1,2,3,4-tetrahydropyrimidine-2,4-dione

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

D364-1403

Molecular Formula

C25H26N4O5 (C25 H26 N4 O5)

Compound Name

3-benzyl-5-[5-(4-ethoxyphenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1,2,3,4-tetrahydropyrimidine-2,4-dione

IUPAC name

3-benzyl-5-[5-(4-ethoxyphenyl)-1-propanoyl-45-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1234-tetrahydropyrimidine-24-dione

SMILES

CCC(N(C(C1)c(cc2)ccc2OCC)N=C1C(C(N(Cc1ccccc1)C(N1)=O)=O)=C1O)=O

InChI

InChI=1S/C25H26N4O5/c1-3-21(30)29-20(17-10-12-18(13-11-17)34-4-2)14-19(27-29)22-23(31)26-25(33)28(24(22)32)15-16-8-6-5-7-9-16/h5-13,20,31H,3-4,14-15H2,1-2H3,(H,26,33)/t20-/m1/s1

InChI Key

ZFZAEDLDBRRFKM-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD27582322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.380

Distribution Coefficient, logD

-2.034

Water Solubility, LogSw

-3.26

Polar Surface Area

90.395

Acid Dissociation Constant (pKa)

1.99

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

D364-1403 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 D364-1403 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D364-1403?
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What is the minimum amount of D364-1403 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D364-1403
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D364-1403
  • 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 D364-1403 available by request