D364-1717 Screening compound: 3-butyl-6-hydroxy-5-[5-(4-methoxyphenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

D364-1717 Screening compound: 3-butyl-6-hydroxy-5-[5-(4-methoxyphenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one
D364-1717 Screening compound: 3-butyl-6-hydroxy-5-[5-(4-methoxyphenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D364-1717
3-butyl-6-hydroxy-5-[5-(4-methoxyphenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-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

D364-1717

Molecular Formula

C21H26N4O4S (C21 H26 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(C(C(C(CC1c(cc2)ccc2OC)=NN1C(CC)=O)=C(N1)O)=O)C1=S

InChI

InChI=1S/C21H26N4O4S/c1-4-6-11-24-20(28)18(19(27)22-21(24)30)15-12-16(25(23-15)17(26)5-2)13-7-9-14(29-3)10-8-13/h7-10,16,27H,4-6,11-12H2,1-3H3,(H,22,30)/t16-/m1/s1

InChI Key

HTEZNDSZROYNPI-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14825274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.022

Distribution Coefficient, logD

-0.961

Water Solubility, LogSw

-3.30

Polar Surface Area

77.903

Acid Dissociation Constant (pKa)

3.42

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with D364-1717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D364-1717?
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What is the minimum amount of D364-1717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D364-1717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D364-1717
  • 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 D364-1717 available by request