D364-1931 Screening compound: 6-hydroxy-3-(prop-2-en-1-yl)-5-[2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

D364-1931 Screening compound: 6-hydroxy-3-(prop-2-en-1-yl)-5-[2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
D364-1931 Screening compound: 6-hydroxy-3-(prop-2-en-1-yl)-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 D364-1931
6-hydroxy-3-(prop-2-en-1-yl)-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

D364-1931

Molecular Formula

C25H25N3O6S (C25 H25 N3 O6 S)

Compound Name

6-hydroxy-3-(prop-2-en-1-yl)-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-(prop-2-en-1-yl)-5-[2-(345-trimethoxyphenyl)-23-dihydro-15-benzothiazepin-4-yl]-1234-tetrahydropyrimidine-24-dione

SMILES

COc1cc(C(C2)Sc(cccc3)c3N=C2C(C(N(CC=C)C(N2)=O)=O)=C2O)cc(OC)c1OC

InChI

InChI=1S/C25H25N3O6S/c1-5-10-28-24(30)21(23(29)27-25(28)31)16-13-20(35-19-9-7-6-8-15(19)26-16)14-11-17(32-2)22(34-4)18(12-14)33-3/h5-9,11-12,20,29H,1,10,13H2,2-4H3,(H,27,31)/t20-/m0/s1

InChI Key

CFGOXICWZDQQFH-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14825308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.992

Distribution Coefficient, logD

-2.926

Water Solubility, LogSw

-3.45

Polar Surface Area

88.499

Acid Dissociation Constant (pKa)

1.48

Base Dissociation Constant (pKb)

-5.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

D364-1931 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 D364-1931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D364-1931?
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What is the minimum amount of D364-1931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D364-1931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D364-1931
  • 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 D364-1931 available by request