2897-1539 Screening compound: 2-(4-{[(5E)-1-(4-tert-butylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetic acid

2897-1539 Screening compound: 2-(4-{[(5E)-1-(4-tert-butylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetic acid
2897-1539 Screening compound: 2-(4-{[(5E)-1-(4-tert-butylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2897-1539
2-(4-{[(5E)-1-(4-tert-butylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetic acid

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

2897-1539

Molecular Formula

C24H24N2O6S (C24 H24 N2 O6 S)

Compound Name

2-(4-{[(5E)-1-(4-tert-butylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetic acid

IUPAC name

2-(4-{[(5E)-1-(4-tert-butylphenyl)-46-dioxo-2-sulfanylidene-13-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetic acid

SMILES

CC(C)(C)c(cc1)ccc1N(C(/C(/C(N1)=O)=C/c(cc2)cc(OC)c2OCC(O)=O)=O)C1=S

InChI

InChI=1S/C24H24N2O6S/c1-24(2,3)15-6-8-16(9-7-15)26-22(30)17(21(29)25-23(26)33)11-14-5-10-18(19(12-14)31-4)32-13-20(27)28/h5-12H,13H2,1-4H3,(H,27,28)(H,25,29,33)

InChI Key

MVPSIEZLMATENJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.626

Distribution Coefficient, logD

-0.611

Water Solubility, LogSw

-4.03

Polar Surface Area

83.828

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

-9.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 2897-1539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2897-1539?
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What is the minimum amount of 2897-1539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2897-1539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2897-1539
  • 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 2897-1539 available by request