D364-0913 Screening compound: 5-[1-acetyl-5-(4-ethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(4-chlorophenyl)-6-hydroxy-1,2,3,4-tetrahydropyrimidine-2,4-dione

D364-0913 Screening compound: 5-[1-acetyl-5-(4-ethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(4-chlorophenyl)-6-hydroxy-1,2,3,4-tetrahydropyrimidine-2,4-dione
D364-0913 Screening compound: 5-[1-acetyl-5-(4-ethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(4-chlorophenyl)-6-hydroxy-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D364-0913
5-[1-acetyl-5-(4-ethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(4-chlorophenyl)-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

D364-0913

Molecular Formula

C23H21ClN4O5 (C23 H21 ClN4 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOc1ccc(C(C2)N(C(C)=O)N=C2C(C(N(c(cc2)ccc2Cl)C(N2)=O)=O)=C2O)cc1

InChI

InChI=1S/C23H21ClN4O5/c1-3-33-17-10-4-14(5-11-17)19-12-18(26-28(19)13(2)29)20-21(30)25-23(32)27(22(20)31)16-8-6-15(24)7-9-16/h4-11,19,30H,3,12H2,1-2H3,(H,25,32)/t19-/m1/s1

InChI Key

KPSPJRGOLIKGJH-LJQANCHMSA-N

MDL Number (MFCD)

MFCD27582201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.856

Distribution Coefficient, logD

-2.576

Water Solubility, LogSw

-3.58

Polar Surface Area

90.779

Acid Dissociation Constant (pKa)

1.97

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with D364-0913 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D364-0913?
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What is the minimum amount of D364-0913 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D364-0913
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D364-0913
  • 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 D364-0913 available by request