2897-1589 Screening compound: ethyl 2-(2-methoxy-4-{[(5E)-1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate

2897-1589 Screening compound: ethyl 2-(2-methoxy-4-{[(5E)-1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate
2897-1589 Screening compound: ethyl 2-(2-methoxy-4-{[(5E)-1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2897-1589
ethyl 2-(2-methoxy-4-{[(5E)-1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate

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

2897-1589

Molecular Formula

C23H22N2O7S (C23 H22 N2 O7 S)

Compound Name

ethyl 2-(2-methoxy-4-{[(5E)-1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate

IUPAC name

ethyl 2-(2-methoxy-4-{[(5E)-1-(4-methoxyphenyl)-46-dioxo-2-sulfanylidene-13-diazinan-5-ylidene]methyl}phenoxy)acetate

SMILES

CCOC(COc(ccc(/C=C(\C(NC(N1c(cc2)ccc2OC)=S)=O)/C1=O)c1)c1OC)=O

InChI

InChI=1S/C23H22N2O7S/c1-4-31-20(26)13-32-18-10-5-14(12-19(18)30-3)11-17-21(27)24-23(33)25(22(17)28)15-6-8-16(29-2)9-7-15/h5-12H,4,13H2,1-3H3,(H,24,27,33)

InChI Key

BPOAKGZGRJKDBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.5

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.240

Distribution Coefficient, logD

1.865

Water Solubility, LogSw

-3.02

Polar Surface Area

83.147

Acid Dissociation Constant (pKa)

7.26

Base Dissociation Constant (pKb)

-7.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

2897-1589 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2897-1589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2897-1589?
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What is the minimum amount of 2897-1589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2897-1589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2897-1589
  • 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 2897-1589 available by request