3269-0186 Screening compound: 4-(5-{[(5E)-4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid

3269-0186 Screening compound: 4-(5-{[(5E)-4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
3269-0186 Screening compound: 4-(5-{[(5E)-4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3269-0186
4-(5-{[(5E)-4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)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

3269-0186

Molecular Formula

C22H14N2O5S (C22 H14 N2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

OC(c(cc1)ccc1-c1ccc(/C=C(\C(NC(N2c3ccccc3)=S)=O)/C2=O)o1)=O

InChI

InChI=1S/C22H14N2O5S/c25-19-17(20(26)24(22(30)23-19)15-4-2-1-3-5-15)12-16-10-11-18(29-16)13-6-8-14(9-7-13)21(27)28/h1-12H,(H,27,28)(H,23,25,30)

InChI Key

KQAPQIJWYLDIHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01829751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.733

Distribution Coefficient, logD

0.005

Water Solubility, LogSw

-4.28

Polar Surface Area

76.206

Acid Dissociation Constant (pKa)

3.67

Base Dissociation Constant (pKb)

-8.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 3269-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3269-0186?
Check Price and Availability of 3269-0186, 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 3269-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3269-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3269-0186
  • 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 3269-0186 available by request