D364-2171 Screening compound: 3-(4-chlorophenyl)-6-hydroxy-5-(2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

D364-2171 Screening compound: 3-(4-chlorophenyl)-6-hydroxy-5-(2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
D364-2171 Screening compound: 3-(4-chlorophenyl)-6-hydroxy-5-(2-phenyl-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 D364-2171
3-(4-chlorophenyl)-6-hydroxy-5-(2-phenyl-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

D364-2171

Molecular Formula

C25H18ClN3O3S (C25 H18 ClN3 O3 S)

Compound Name

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

SMILES

OC(NC(N(c(cc1)ccc1Cl)C1=O)=O)=C1C(C1)=Nc(cccc2)c2SC1c1ccccc1

InChI

InChI=1S/C25H18ClN3O3S/c26-16-10-12-17(13-11-16)29-24(31)22(23(30)28-25(29)32)19-14-21(15-6-2-1-3-7-15)33-20-9-5-4-8-18(20)27-19/h1-13,21,30H,14H2,(H,28,32)/t21-/m0/s1

InChI Key

PTUINWDCJLRVGI-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14825350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.96

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

4.415

Distribution Coefficient, logD

-2.156

Water Solubility, LogSw

-4.71

Polar Surface Area

64.660

Acid Dissociation Constant (pKa)

0.83

Base Dissociation Constant (pKb)

-5.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.00

D364-2171 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D364-2171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D364-2171?
Check Price and Availability of D364-2171, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D364-2171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D364-2171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D364-2171
  • 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 D364-2171 available by request