D364-1918 Screening compound: 5-[2-(4-fluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

D364-1918 Screening compound: 5-[2-(4-fluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
D364-1918 Screening compound: 5-[2-(4-fluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D364-1918
5-[2-(4-fluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-1,3-dimethyl-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

D364-1918

Molecular Formula

C21H18FN3O3S (C21 H18 FN3 O3 S)

Compound Name

5-[2-(4-fluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

IUPAC name

5-[2-(4-fluorophenyl)-23-dihydro-15-benzothiazepin-4-yl]-6-hydroxy-13-dimethyl-1234-tetrahydropyrimidine-24-dione

SMILES

CN(C(C(C(C1)=Nc(cccc2)c2SC1c(cc1)ccc1F)=C(N1C)O)=O)C1=O

InChI

InChI=1S/C21H18FN3O3S/c1-24-19(26)18(20(27)25(2)21(24)28)15-11-17(12-7-9-13(22)10-8-12)29-16-6-4-3-5-14(16)23-15/h3-10,17,26H,11H2,1-2H3/t17-/m0/s1

InChI Key

QOQOXHBDCHIQCQ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14825301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.173

Distribution Coefficient, logD

-2.209

Water Solubility, LogSw

-3.36

Polar Surface Area

56.832

Acid Dissociation Constant (pKa)

2.02

Base Dissociation Constant (pKb)

-5.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

D364-1918 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Agro:
  • Agro
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D364-1918 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D364-1918?
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What is the minimum amount of D364-1918 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D364-1918
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D364-1918
  • 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 D364-1918 available by request