D364-2003 Screening compound: 3-butyl-5-[2-(2,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-1,2,3,4-tetrahydropyrimidine-2,4-dione

D364-2003 Screening compound: 3-butyl-5-[2-(2,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-1,2,3,4-tetrahydropyrimidine-2,4-dione
D364-2003 Screening compound: 3-butyl-5-[2-(2,4-dimethoxyphenyl)-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 D364-2003
3-butyl-5-[2-(2,4-dimethoxyphenyl)-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

D364-2003

Molecular Formula

C25H27N3O5S (C25 H27 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(C(C(C(C1)=Nc(cccc2)c2SC1c(ccc(OC)c1)c1OC)=C(N1)O)=O)C1=O

InChI

InChI=1S/C25H27N3O5S/c1-4-5-12-28-24(30)22(23(29)27-25(28)31)18-14-21(34-20-9-7-6-8-17(20)26-18)16-11-10-15(32-2)13-19(16)33-3/h6-11,13,21,29H,4-5,12,14H2,1-3H3,(H,27,31)/t21-/m0/s1

InChI Key

STPQJDYTAQPRFO-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14825322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.173

Distribution Coefficient, logD

-2.031

Water Solubility, LogSw

-3.93

Polar Surface Area

80.695

Acid Dissociation Constant (pKa)

1.20

Base Dissociation Constant (pKb)

-4.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

D364-2003 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 D364-2003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D364-2003?
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What is the minimum amount of D364-2003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D364-2003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D364-2003
  • 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 D364-2003 available by request