D364-2423 Screening compound: 3-butyl-5-[2-(2,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

D364-2423 Screening compound: 3-butyl-5-[2-(2,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one
D364-2423 Screening compound: 3-butyl-5-[2-(2,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D364-2423
3-butyl-5-[2-(2,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-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

D364-2423

Molecular Formula

C25H27N3O4S2 (C25 H27 N3 O4 S2)

Compound Name

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

IUPAC name

3-butyl-5-[2-(24-dimethoxyphenyl)-23-dihydro-15-benzothiazepin-4-yl]-6-hydroxy-2-sulfanylidene-1234-tetrahydropyrimidin-4-one

SMILES

CCCCN(C(C(C(C1)=Nc(cccc2)c2SC1c(ccc(OC)c1)c1OC)=C(N1)O)=O)C1=S

InChI

InChI=1S/C25H27N3O4S2/c1-4-5-12-28-24(30)22(23(29)27-25(28)33)18-14-21(34-20-9-7-6-8-17(20)26-18)16-11-10-15(31-2)13-19(16)32-3/h6-11,13,21,29H,4-5,12,14H2,1-3H3,(H,27,33)/t21-/m0/s1

InChI Key

UFXRFMQESSACOU-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14825417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.492

Distribution Coefficient, logD

-0.630

Water Solubility, LogSw

-4.00

Polar Surface Area

67.533

Acid Dissociation Constant (pKa)

2.28

Base Dissociation Constant (pKb)

-5.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with D364-2423 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D364-2423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D364-2423
  • 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 D364-2423 available by request