D364-2195 Screening compound: 3-(4-chlorophenyl)-6-hydroxy-5-[2-(thiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

D364-2195 Screening compound: 3-(4-chlorophenyl)-6-hydroxy-5-[2-(thiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
D364-2195 Screening compound: 3-(4-chlorophenyl)-6-hydroxy-5-[2-(thiophen-2-yl)-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 D364-2195
3-(4-chlorophenyl)-6-hydroxy-5-[2-(thiophen-2-yl)-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

D364-2195

Molecular Formula

C23H16ClN3O3S2 (C23 H16 ClN3 O3 S2)

Compound Name

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

SMILES

OC(NC(N(c(cc1)ccc1Cl)C1=O)=O)=C1C(C1)=Nc(cccc2)c2SC1c1cccs1

InChI

InChI=1S/C23H16ClN3O3S2/c24-13-7-9-14(10-8-13)27-22(29)20(21(28)26-23(27)30)16-12-19(18-6-3-11-31-18)32-17-5-2-1-4-15(17)25-16/h1-11,19,28H,12H2,(H,26,30)/t19-/m0/s1

InChI Key

RIXKQKFJTBRQJE-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14825351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.98

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.005

Distribution Coefficient, logD

-2.567

Water Solubility, LogSw

-4.45

Polar Surface Area

65.678

Acid Dissociation Constant (pKa)

0.83

Base Dissociation Constant (pKb)

-5.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.70

D364-2195 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

KRAS-Targeted Library (16000 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
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Agro:
  • Agro
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D364-2195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D364-2195?
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What is the minimum amount of D364-2195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D364-2195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D364-2195
  • 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 D364-2195 available by request