D364-2090 Screening compound: 3-cyclohexyl-6-hydroxy-5-[2-(thiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

D364-2090 Screening compound: 3-cyclohexyl-6-hydroxy-5-[2-(thiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
D364-2090 Screening compound: 3-cyclohexyl-6-hydroxy-5-[2-(thiophen-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 D364-2090
3-cyclohexyl-6-hydroxy-5-[2-(thiophen-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

D364-2090

Molecular Formula

C23H23N3O3S2 (C23 H23 N3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

OC(NC(N(C1CCCCC1)C1=O)=O)=C1C(C1)=Nc(cccc2)c2SC1c1cccs1

InChI

InChI=1S/C23H23N3O3S2/c27-21-20(22(28)26(23(29)25-21)14-7-2-1-3-8-14)16-13-19(18-11-6-12-30-18)31-17-10-5-4-9-15(17)24-16/h4-6,9-12,14,19,27H,1-3,7-8,13H2,(H,25,29)/t19-/m0/s1

InChI Key

IBJVGOHBTUTGPR-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14825343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.078

Distribution Coefficient, logD

-2.127

Water Solubility, LogSw

-4.11

Polar Surface Area

65.511

Acid Dissociation Constant (pKa)

1.20

Base Dissociation Constant (pKb)

-3.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

D364-2090 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 D364-2090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D364-2090?
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What is the minimum amount of D364-2090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D364-2090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D364-2090
  • 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 D364-2090 available by request