D364-1079 Screening compound: 5-[1-acetyl-5-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(3-chlorophenyl)-6-hydroxy-1,2,3,4-tetrahydropyrimidine-2,4-dione

D364-1079 Screening compound: 5-[1-acetyl-5-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(3-chlorophenyl)-6-hydroxy-1,2,3,4-tetrahydropyrimidine-2,4-dione
D364-1079 Screening compound: 5-[1-acetyl-5-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(3-chlorophenyl)-6-hydroxy-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D364-1079
5-[1-acetyl-5-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(3-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

D364-1079

Molecular Formula

C21H17ClN4O5 (C21 H17 ClN4 O5)

Compound Name

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

IUPAC name

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

SMILES

CC(N(C(C1)c(cc2)ccc2O)N=C1C(C(N(c1cccc(Cl)c1)C(N1)=O)=O)=C1O)=O

InChI

InChI=1S/C21H17ClN4O5/c1-11(27)26-17(12-5-7-15(28)8-6-12)10-16(24-26)18-19(29)23-21(31)25(20(18)30)14-4-2-3-13(22)9-14/h2-9,17,28-29H,10H2,1H3,(H,23,31)/t17-/m1/s1

InChI Key

VIMKQPFYWGCRBV-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD27582258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.84

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.912

Distribution Coefficient, logD

-3.520

Water Solubility, LogSw

-2.86

Polar Surface Area

101.272

Acid Dissociation Constant (pKa)

1.97

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

D364-1079 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D364-1079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D364-1079?
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What is the minimum amount of D364-1079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D364-1079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D364-1079
  • 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 D364-1079 available by request