2897-1440 Screening compound: (5E)-5-({3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

2897-1440 Screening compound: (5E)-5-({3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
2897-1440 Screening compound: (5E)-5-({3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2897-1440
(5E)-5-({3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-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

2897-1440

Molecular Formula

C26H21N3O7S (C26 H21 N3 O7 S)

Compound Name

(5E)-5-({3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

(5E)-5-({3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-1-(4-methoxyphenyl)-2-sulfanylidene-13-diazinane-46-dione

SMILES

COc(cc1)ccc1N(C(/C(/C(N1)=O)=C/c(cc2)cc(OC)c2OCc(cc2)ccc2[N+]([O-])=O)=O)C1=S

InChI

InChI=1S/C26H21N3O7S/c1-34-20-10-8-18(9-11-20)28-25(31)21(24(30)27-26(28)37)13-17-5-12-22(23(14-17)35-2)36-15-16-3-6-19(7-4-16)29(32)33/h3-14H,15H2,1-2H3,(H,27,30,37)

InChI Key

JBAOMPVICUYTQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.53

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.865

Distribution Coefficient, logD

3.490

Water Solubility, LogSw

-4.24

Polar Surface Area

96.098

Acid Dissociation Constant (pKa)

7.26

Base Dissociation Constant (pKb)

-7.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

2897-1440 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2897-1440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2897-1440?
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What is the minimum amount of 2897-1440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2897-1440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2897-1440
  • 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 2897-1440 available by request