D364-0470 Screening compound: 5-[5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1,3-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

D364-0470 Screening compound: 5-[5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1,3-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one
D364-0470 Screening compound: 5-[5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1,3-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D364-0470
5-[5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1,3-dimethyl-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

D364-0470

Molecular Formula

C15H15BrN4O2S (C15 H15 BrN4 O2 S)

Compound Name

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

IUPAC name

5-[5-(4-bromophenyl)-45-dihydro-1H-pyrazol-3-yl]-6-hydroxy-13-dimethyl-2-sulfanylidene-1234-tetrahydropyrimidin-4-one

SMILES

CN(C(C(C(C1)=NNC1c(cc1)ccc1Br)=C(N1C)O)=O)C1=S

InChI

InChI=1S/C15H15BrN4O2S/c1-19-13(21)12(14(22)20(2)15(19)23)11-7-10(17-18-11)8-3-5-9(16)6-4-8/h3-6,10,17,21H,7H2,1-2H3/t10-/m0/s1

InChI Key

ZOZAQNBEGYBKCJ-JTQLQIEISA-N

MDL Number (MFCD)

MFCD14825158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.855

Distribution Coefficient, logD

-1.501

Water Solubility, LogSw

-2.44

Polar Surface Area

59.225

Acid Dissociation Constant (pKa)

4.04

Base Dissociation Constant (pKb)

0.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

D364-0470 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D364-0470 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D364-0470?
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What is the minimum amount of D364-0470 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D364-0470
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D364-0470
  • 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 D364-0470 available by request