D364-1997 Screening compound: 3-butyl-6-hydroxy-5-[2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

D364-1997 Screening compound: 3-butyl-6-hydroxy-5-[2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
D364-1997 Screening compound: 3-butyl-6-hydroxy-5-[2-(4-methoxyphenyl)-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 D364-1997
3-butyl-6-hydroxy-5-[2-(4-methoxyphenyl)-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

D364-1997

Molecular Formula

C24H25N3O4S (C24 H25 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(C(C(C(C1)=Nc(cccc2)c2SC1c(cc1)ccc1OC)=C(N1)O)=O)C1=O

InChI

InChI=1S/C24H25N3O4S/c1-3-4-13-27-23(29)21(22(28)26-24(27)30)18-14-20(15-9-11-16(31-2)12-10-15)32-19-8-6-5-7-17(19)25-18/h5-12,20,28H,3-4,13-14H2,1-2H3,(H,26,30)/t20-/m0/s1

InChI Key

SHICMRWCZYLQDE-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14825319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.100

Distribution Coefficient, logD

-2.105

Water Solubility, LogSw

-3.88

Polar Surface Area

73.065

Acid Dissociation Constant (pKa)

1.20

Base Dissociation Constant (pKb)

-4.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

D364-1997 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 D364-1997 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of D364-1997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D364-1997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D364-1997
  • 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 D364-1997 available by request