D364-2199 Screening compound: 3-(4-chlorophenyl)-6-hydroxy-5-[2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

D364-2199 Screening compound: 3-(4-chlorophenyl)-6-hydroxy-5-[2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
D364-2199 Screening compound: 3-(4-chlorophenyl)-6-hydroxy-5-[2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D364-2199
3-(4-chlorophenyl)-6-hydroxy-5-[2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-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

D364-2199

Molecular Formula

C25H18ClN3O4S (C25 H18 ClN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Oc1ccc(C(C2)Sc(cccc3)c3N=C2C(C(N(c(cc2)ccc2Cl)C(N2)=O)=O)=C2O)cc1

InChI

InChI=1S/C25H18ClN3O4S/c26-15-7-9-16(10-8-15)29-24(32)22(23(31)28-25(29)33)19-13-21(14-5-11-17(30)12-6-14)34-20-4-2-1-3-18(20)27-19/h1-12,21,30-31H,13H2,(H,28,33)/t21-/m0/s1

InChI Key

OSHDZICUJCRORW-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14825353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.791

Distribution Coefficient, logD

-2.780

Water Solubility, LogSw

-4.62

Polar Surface Area

82.277

Acid Dissociation Constant (pKa)

0.83

Base Dissociation Constant (pKb)

-5.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.00

D364-2199 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D364-2199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D364-2199?
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What is the minimum amount of D364-2199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D364-2199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D364-2199
  • 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 D364-2199 available by request