D364-1417 Screening compound: 3-benzyl-6-hydroxy-5-[5-(3-hydroxy-4-methoxyphenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

D364-1417 Screening compound: 3-benzyl-6-hydroxy-5-[5-(3-hydroxy-4-methoxyphenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
D364-1417 Screening compound: 3-benzyl-6-hydroxy-5-[5-(3-hydroxy-4-methoxyphenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D364-1417
3-benzyl-6-hydroxy-5-[5-(3-hydroxy-4-methoxyphenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-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

D364-1417

Molecular Formula

C24H24N4O6 (C24 H24 N4 O6)

Compound Name

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

IUPAC name

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

SMILES

CCC(N(C(C1)c(cc2)cc(O)c2OC)N=C1C(C(N(Cc1ccccc1)C(N1)=O)=O)=C1O)=O

InChI

InChI=1S/C24H24N4O6/c1-3-20(30)28-17(15-9-10-19(34-2)18(29)11-15)12-16(26-28)21-22(31)25-24(33)27(23(21)32)13-14-7-5-4-6-8-14/h4-11,17,29,31H,3,12-13H2,1-2H3,(H,25,33)/t17-/m1/s1

InChI Key

LLTFAHKTJFUSIQ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD27582332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.421

Distribution Coefficient, logD

-2.993

Water Solubility, LogSw

-2.86

Polar Surface Area

107.450

Acid Dissociation Constant (pKa)

1.99

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

D364-1417 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 D364-1417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D364-1417?
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What is the minimum amount of D364-1417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D364-1417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D364-1417
  • 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 D364-1417 available by request