D364-2409 Screening compound: 6-hydroxy-5-[2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-3-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

D364-2409 Screening compound: 6-hydroxy-5-[2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-3-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one
D364-2409 Screening compound: 6-hydroxy-5-[2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-3-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D364-2409
6-hydroxy-5-[2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-3-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

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

D364-2409

Molecular Formula

C20H17N3O3S2 (C20 H17 N3 O3 S2)

Compound Name

6-hydroxy-5-[2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-3-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

IUPAC name

6-hydroxy-5-[2-(4-hydroxyphenyl)-23-dihydro-15-benzothiazepin-4-yl]-3-methyl-2-sulfanylidene-1234-tetrahydropyrimidin-4-one

SMILES

CN(C(C(C(C1)=Nc(cccc2)c2SC1c(cc1)ccc1O)=C(N1)O)=O)C1=S

InChI

InChI=1S/C20H17N3O3S2/c1-23-19(26)17(18(25)22-20(23)27)14-10-16(11-6-8-12(24)9-7-11)28-15-5-3-2-4-13(15)21-14/h2-9,16,24-25H,10H2,1H3,(H,22,27)/t16-/m0/s1

InChI Key

BUQQTQJLYNAOFN-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14825410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.309

Distribution Coefficient, logD

-2.813

Water Solubility, LogSw

-2.67

Polar Surface Area

69.763

Acid Dissociation Constant (pKa)

2.28

Base Dissociation Constant (pKb)

-6.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

D364-2409 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D364-2409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D364-2409?
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What is the minimum amount of D364-2409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D364-2409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D364-2409
  • 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 D364-2409 available by request