2897-1487 Screening compound: 4-[(4-{[(5E)-1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid

2897-1487 Screening compound: 4-[(4-{[(5E)-1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid
2897-1487 Screening compound: 4-[(4-{[(5E)-1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2897-1487
4-[(4-{[(5E)-1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic 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

2897-1487

Molecular Formula

C28H24N2O7S (C28 H24 N2 O7 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1N(C(/C(/C(N1)=O)=C/c(cc2)cc(OC)c2OCc(cc2)ccc2C(O)=O)=O)C1=S

InChI

InChI=1S/C28H24N2O7S/c1-3-36-21-11-9-20(10-12-21)30-26(32)22(25(31)29-28(30)38)14-18-6-13-23(24(15-18)35-2)37-16-17-4-7-19(8-5-17)27(33)34/h4-15H,3,16H2,1-2H3,(H,33,34)(H,29,31,38)

InChI Key

AYWSOTDHBNFIEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.57

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.174

Distribution Coefficient, logD

1.202

Water Solubility, LogSw

-4.40

Polar Surface Area

90.705

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-7.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 2897-1487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2897-1487?
Check Price and Availability of 2897-1487, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2897-1487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2897-1487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2897-1487
  • 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 2897-1487 available by request