3288-0063 Screening compound: 2-chloro-5-(5-{[(5Z)-1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid

3288-0063 Screening compound: 2-chloro-5-(5-{[(5Z)-1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
3288-0063 Screening compound: 2-chloro-5-(5-{[(5Z)-1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3288-0063
2-chloro-5-(5-{[(5Z)-1-(4-methylphenyl)-4,6-dioxo-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

3288-0063

Molecular Formula

C23H15ClN2O5S (C23 H15 ClN2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1N(C(/C(/C(N1)=O)=C\c2ccc(-c(cc3)cc(C(O)=O)c3Cl)o2)=O)C1=S

InChI

InChI=1S/C23H15ClN2O5S/c1-12-2-5-14(6-3-12)26-21(28)17(20(27)25-23(26)32)11-15-7-9-19(31-15)13-4-8-18(24)16(10-13)22(29)30/h2-11H,1H3,(H,29,30)(H,25,27,32)

InChI Key

MQPXUZPVJDSDEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.9

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

4.643

Distribution Coefficient, logD

0.212

Water Solubility, LogSw

-4.65

Polar Surface Area

76.206

Acid Dissociation Constant (pKa)

2.97

Base Dissociation Constant (pKb)

-8.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

References: we are preparing a list of scientific research reports with 3288-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3288-0063?
Check Price and Availability of 3288-0063, 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 3288-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3288-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3288-0063
  • 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 3288-0063 available by request