2897-1538 Screening compound: 2-(4-{[(5E)-4,6-dioxo-1-[4-(propan-2-yl)phenyl]-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetic acid

2897-1538 Screening compound: 2-(4-{[(5E)-4,6-dioxo-1-[4-(propan-2-yl)phenyl]-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetic acid
2897-1538 Screening compound: 2-(4-{[(5E)-4,6-dioxo-1-[4-(propan-2-yl)phenyl]-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2897-1538
2-(4-{[(5E)-4,6-dioxo-1-[4-(propan-2-yl)phenyl]-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

2897-1538

Molecular Formula

C23H22N2O6S (C23 H22 N2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H22N2O6S/c1-13(2)15-5-7-16(8-6-15)25-22(29)17(21(28)24-23(25)32)10-14-4-9-18(19(11-14)30-3)31-12-20(26)27/h4-11,13H,12H2,1-3H3,(H,26,27)(H,24,28,32)

InChI Key

ZSYIUWBELHDKHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.5

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

3.170

Distribution Coefficient, logD

-1.067

Water Solubility, LogSw

-3.44

Polar Surface Area

83.828

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

-9.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with 2897-1538 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2897-1538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2897-1538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2897-1538
  • 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 2897-1538 available by request