D364-1097 Screening compound: 5-{1-acetyl-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}-6-hydroxy-1,3-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

D364-1097 Screening compound: 5-{1-acetyl-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}-6-hydroxy-1,3-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one
D364-1097 Screening compound: 5-{1-acetyl-5-[4-(propan-2-yl)phenyl]-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 D364-1097
5-{1-acetyl-5-[4-(propan-2-yl)phenyl]-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

D364-1097

Molecular Formula

C20H24N4O3S (C20 H24 N4 O3 S)

Compound Name

5-{1-acetyl-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}-6-hydroxy-1,3-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

IUPAC name

5-{1-acetyl-5-[4-(propan-2-yl)phenyl]-45-dihydro-1H-pyrazol-3-yl}-6-hydroxy-13-dimethyl-2-sulfanylidene-1234-tetrahydropyrimidin-4-one

SMILES

CC(C)c1ccc(C(C2)N(C(C)=O)N=C2C(C(N(C)C(N2C)=S)=O)=C2O)cc1

InChI

InChI=1S/C20H24N4O3S/c1-11(2)13-6-8-14(9-7-13)16-10-15(21-24(16)12(3)25)17-18(26)22(4)20(28)23(5)19(17)27/h6-9,11,16,26H,10H2,1-5H3/t16-/m1/s1

InChI Key

NXFRJEMXGPDGBI-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14825212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.251

Distribution Coefficient, logD

-0.909

Water Solubility, LogSw

-2.58

Polar Surface Area

62.520

Acid Dissociation Constant (pKa)

4.24

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

D364-1097 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D364-1097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D364-1097?
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What is the minimum amount of D364-1097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D364-1097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D364-1097
  • 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 D364-1097 available by request