D364-2068 Screening compound: 3-cyclohexyl-5-[2-(4-ethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-1,2,3,4-tetrahydropyrimidine-2,4-dione

D364-2068 Screening compound: 3-cyclohexyl-5-[2-(4-ethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-1,2,3,4-tetrahydropyrimidine-2,4-dione
D364-2068 Screening compound: 3-cyclohexyl-5-[2-(4-ethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D364-2068
3-cyclohexyl-5-[2-(4-ethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-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

D364-2068

Molecular Formula

C27H29N3O4S (C27 H29 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc1ccc(C(C2)Sc(cccc3)c3N=C2C(C(N(C2CCCCC2)C(N2)=O)=O)=C2O)cc1

InChI

InChI=1S/C27H29N3O4S/c1-2-34-19-14-12-17(13-15-19)23-16-21(28-20-10-6-7-11-22(20)35-23)24-25(31)29-27(33)30(26(24)32)18-8-4-3-5-9-18/h6-7,10-15,18,23,31H,2-5,8-9,16H2,1H3,(H,29,33)/t23-/m0/s1

InChI Key

ULVMHXOPLCCPPB-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14825338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.853

Distribution Coefficient, logD

-1.352

Water Solubility, LogSw

-4.19

Polar Surface Area

71.616

Acid Dissociation Constant (pKa)

1.20

Base Dissociation Constant (pKb)

-3.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

D364-2068 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with D364-2068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D364-2068?
Check Price and Availability of D364-2068, 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 D364-2068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D364-2068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D364-2068
  • 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 D364-2068 available by request