D364-0504 Screening compound: 5-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

D364-0504 Screening compound: 5-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one
D364-0504 Screening compound: 5-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D364-0504
5-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-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

D364-0504

Molecular Formula

C14H13ClN4O2S (C14 H13 ClN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CN(C(C(C(C1)=NNC1c(cc1)ccc1Cl)=C(N1)O)=O)C1=S

InChI

InChI=1S/C14H13ClN4O2S/c1-19-13(21)11(12(20)16-14(19)22)10-6-9(17-18-10)7-2-4-8(15)5-3-7/h2-5,9,17,20H,6H2,1H3,(H,16,22)/t9-/m0/s1

InChI Key

WTMBSDUKEKTDGQ-VIFPVBQESA-N

MDL Number (MFCD)

MFCD14825175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.707

Distribution Coefficient, logD

-2.472

Water Solubility, LogSw

-2.98

Polar Surface Area

67.847

Acid Dissociation Constant (pKa)

3.22

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with D364-0504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D364-0504?
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What is the minimum amount of D364-0504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D364-0504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D364-0504
  • 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 D364-0504 available by request