D364-1722 Screening compound: 3-butyl-6-hydroxy-5-[1-propanoyl-5-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

D364-1722 Screening compound: 3-butyl-6-hydroxy-5-[1-propanoyl-5-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one
D364-1722 Screening compound: 3-butyl-6-hydroxy-5-[1-propanoyl-5-(2,3,4-trimethoxyphenyl)-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 D364-1722
3-butyl-6-hydroxy-5-[1-propanoyl-5-(2,3,4-trimethoxyphenyl)-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

D364-1722

Molecular Formula

C23H30N4O6S (C23 H30 N4 O6 S)

Compound Name

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

IUPAC name

3-butyl-6-hydroxy-5-[1-propanoyl-5-(234-trimethoxyphenyl)-45-dihydro-1H-pyrazol-3-yl]-2-sulfanylidene-1234-tetrahydropyrimidin-4-one

SMILES

CCCCN(C(C(C(CC1c(ccc(OC)c2OC)c2OC)=NN1C(CC)=O)=C(N1)O)=O)C1=S

InChI

InChI=1S/C23H30N4O6S/c1-6-8-11-26-22(30)18(21(29)24-23(26)34)14-12-15(27(25-14)17(28)7-2)13-9-10-16(31-3)20(33-5)19(13)32-4/h9-10,15,29H,6-8,11-12H2,1-5H3,(H,24,34)/t15-/m1/s1

InChI Key

HCPKWHPINOAGLO-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD14825277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.965

Distribution Coefficient, logD

-1.018

Water Solubility, LogSw

-3.30

Polar Surface Area

93.423

Acid Dissociation Constant (pKa)

3.42

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

D364-1722 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D364-1722 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D364-1722?
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What is the minimum amount of D364-1722 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D364-1722
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D364-1722
  • 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 D364-1722 available by request