D364-1216 Screening compound: 6-hydroxy-1,3-dimethyl-5-[5-(5-methylthiophen-2-yl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

D364-1216 Screening compound: 6-hydroxy-1,3-dimethyl-5-[5-(5-methylthiophen-2-yl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
D364-1216 Screening compound: 6-hydroxy-1,3-dimethyl-5-[5-(5-methylthiophen-2-yl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D364-1216
6-hydroxy-1,3-dimethyl-5-[5-(5-methylthiophen-2-yl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

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

D364-1216

Molecular Formula

C17H20N4O4S (C17 H20 N4 O4 S)

Compound Name

6-hydroxy-1,3-dimethyl-5-[5-(5-methylthiophen-2-yl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

IUPAC name

6-hydroxy-13-dimethyl-5-[5-(5-methylthiophen-2-yl)-1-propanoyl-45-dihydro-1H-pyrazol-3-yl]-1234-tetrahydropyrimidine-24-dione

SMILES

CCC(N(C(C1)c2ccc(C)s2)N=C1C(C(N(C)C(N1C)=O)=O)=C1O)=O

InChI

InChI=1S/C17H20N4O4S/c1-5-13(22)21-11(12-7-6-9(2)26-12)8-10(18-21)14-15(23)19(3)17(25)20(4)16(14)24/h6-7,11,23H,5,8H2,1-4H3/t11-/m0/s1

InChI Key

SCALIYYLOSEVNS-NSHDSACASA-N

MDL Number (MFCD)

MFCD27582274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.103

Distribution Coefficient, logD

-2.140

Water Solubility, LogSw

-2.52

Polar Surface Area

75.851

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

References: we are preparing a list of scientific research reports with D364-1216 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of D364-1216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D364-1216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D364-1216
  • 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 D364-1216 available by request