D364-1892 Screening compound: 6-hydroxy-5-[2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

D364-1892 Screening compound: 6-hydroxy-5-[2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
D364-1892 Screening compound: 6-hydroxy-5-[2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D364-1892
6-hydroxy-5-[2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-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

D364-1892

Molecular Formula

C22H21N3O4S (C22 H21 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CN(C(C(C(C1)=Nc(cccc2)c2SC1c(cc1)ccc1OC)=C(N1C)O)=O)C1=O

InChI

InChI=1S/C22H21N3O4S/c1-24-20(26)19(21(27)25(2)22(24)28)16-12-18(13-8-10-14(29-3)11-9-13)30-17-7-5-4-6-15(17)23-16/h4-11,18,26H,12H2,1-3H3/t18-/m0/s1

InChI Key

SRZRANFWZQWWGQ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14825285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.126

Distribution Coefficient, logD

-2.256

Water Solubility, LogSw

-3.32

Polar Surface Area

64.376

Acid Dissociation Constant (pKa)

2.02

Base Dissociation Constant (pKb)

-5.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

D364-1892 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D364-1892 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D364-1892?
Check Price and Availability of D364-1892, 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 D364-1892 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D364-1892
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D364-1892
  • 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 D364-1892 available by request