D364-1916 Screening compound: 6-hydroxy-1,3-dimethyl-5-[2-(5-methylthiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

D364-1916 Screening compound: 6-hydroxy-1,3-dimethyl-5-[2-(5-methylthiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
D364-1916 Screening compound: 6-hydroxy-1,3-dimethyl-5-[2-(5-methylthiophen-2-yl)-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 D364-1916
6-hydroxy-1,3-dimethyl-5-[2-(5-methylthiophen-2-yl)-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

D364-1916

Molecular Formula

C20H19N3O3S2 (C20 H19 N3 O3 S2)

Compound Name

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

IUPAC name

6-hydroxy-13-dimethyl-5-[2-(5-methylthiophen-2-yl)-23-dihydro-15-benzothiazepin-4-yl]-1234-tetrahydropyrimidine-24-dione

SMILES

Cc1ccc(C(C2)Sc(cccc3)c3N=C2C(C(N(C)C(N2C)=O)=O)=C2O)s1

InChI

InChI=1S/C20H19N3O3S2/c1-11-8-9-15(27-11)16-10-13(21-12-6-4-5-7-14(12)28-16)17-18(24)22(2)20(26)23(3)19(17)25/h4-9,16,24H,10H2,1-3H3/t16-/m0/s1

InChI Key

LOWBULKGKNSNRQ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14825300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.446

Distribution Coefficient, logD

-1.936

Water Solubility, LogSw

-3.66

Polar Surface Area

57.851

Acid Dissociation Constant (pKa)

2.02

Base Dissociation Constant (pKb)

-5.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

D364-1916 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D364-1916 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D364-1916?
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What is the minimum amount of D364-1916 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D364-1916
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D364-1916
  • 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 D364-1916 available by request