D364-1172 Screening compound: 5-[1-acetyl-5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-butyl-6-hydroxy-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

D364-1172 Screening compound: 5-[1-acetyl-5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-butyl-6-hydroxy-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one
D364-1172 Screening compound: 5-[1-acetyl-5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-butyl-6-hydroxy-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D364-1172
5-[1-acetyl-5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-butyl-6-hydroxy-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

D364-1172

Molecular Formula

C20H24N4O5S (C20 H24 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(C(C(C(CC1c(cc2)cc(O)c2OC)=NN1C(C)=O)=C(N1)O)=O)C1=S

InChI

InChI=1S/C20H24N4O5S/c1-4-5-8-23-19(28)17(18(27)21-20(23)30)13-10-14(24(22-13)11(2)25)12-6-7-16(29-3)15(26)9-12/h6-7,9,14,26-27H,4-5,8,10H2,1-3H3,(H,21,30)/t14-/m1/s1

InChI Key

YAXNBLLNCVYINZ-CQSZACIVSA-N

MDL Number (MFCD)

MFCD14825242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.922

Distribution Coefficient, logD

-2.061

Water Solubility, LogSw

-2.72

Polar Surface Area

95.533

Acid Dissociation Constant (pKa)

3.42

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

D364-1172 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with D364-1172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D364-1172?
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What is the minimum amount of D364-1172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D364-1172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D364-1172
  • 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 D364-1172 available by request