D364-2456 Screening compound: 6-hydroxy-3-methyl-5-[2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

D364-2456 Screening compound: 6-hydroxy-3-methyl-5-[2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
D364-2456 Screening compound: 6-hydroxy-3-methyl-5-[2-(3,4,5-trimethoxyphenyl)-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 D364-2456
6-hydroxy-3-methyl-5-[2-(3,4,5-trimethoxyphenyl)-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

D364-2456

Molecular Formula

C23H23N3O6S (C23 H23 N3 O6 S)

Compound Name

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

IUPAC name

6-hydroxy-3-methyl-5-[2-(345-trimethoxyphenyl)-23-dihydro-15-benzothiazepin-4-yl]-1234-tetrahydropyrimidine-24-dione

SMILES

CN(C(C(C(C1)=Nc(cccc2)c2SC1c(cc1OC)cc(OC)c1OC)=C(N1)O)=O)C1=O

InChI

InChI=1S/C23H23N3O6S/c1-26-22(28)19(21(27)25-23(26)29)14-11-18(33-17-8-6-5-7-13(17)24-14)12-9-15(30-2)20(32-4)16(10-12)31-3/h5-10,18,27H,11H2,1-4H3,(H,25,29)/t18-/m0/s1

InChI Key

AQTDLOJLKOSVLD-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14825434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.503

Distribution Coefficient, logD

-3.701

Water Solubility, LogSw

-2.98

Polar Surface Area

88.286

Acid Dissociation Constant (pKa)

1.20

Base Dissociation Constant (pKb)

-5.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

D364-2456 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D364-2456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D364-2456?
Check Price and Availability of D364-2456, 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 D364-2456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D364-2456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D364-2456
  • 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 D364-2456 available by request