D364-2479 Screening compound: 6-hydroxy-5-[2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

D364-2479 Screening compound: 6-hydroxy-5-[2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
D364-2479 Screening compound: 6-hydroxy-5-[2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D364-2479
6-hydroxy-5-[2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-3-methyl-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

D364-2479

Molecular Formula

C20H17N3O4S (C20 H17 N3 O4 S)

Compound Name

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

IUPAC name

6-hydroxy-5-[2-(4-hydroxyphenyl)-23-dihydro-15-benzothiazepin-4-yl]-3-methyl-1234-tetrahydropyrimidine-24-dione

SMILES

CN(C(C(C(C1)=Nc(cccc2)c2SC1c(cc1)ccc1O)=C(N1)O)=O)C1=O

InChI

InChI=1S/C20H17N3O4S/c1-23-19(26)17(18(25)22-20(23)27)14-10-16(11-6-8-12(24)9-7-11)28-15-5-3-2-4-13(15)21-14/h2-9,16,24-25H,10H2,1H3,(H,22,27)/t16-/m0/s1

InChI Key

KONLCDTWWZUSTN-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14825448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.184

Distribution Coefficient, logD

-4.021

Water Solubility, LogSw

-2.64

Polar Surface Area

82.925

Acid Dissociation Constant (pKa)

1.20

Base Dissociation Constant (pKb)

-5.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

D364-2479 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 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
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D364-2479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D364-2479?
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What is the minimum amount of D364-2479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D364-2479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D364-2479
  • 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 D364-2479 available by request