4489-7491 Screening compound: 5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione

4489-7491 Screening compound: 5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
4489-7491 Screening compound: 5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4489-7491
5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione

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

4489-7491

Molecular Formula

C16H11N3O5S (C16 H11 N3 O5 S)

Compound Name

5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-13-diazinane-46-dione

SMILES

Cc(ccc(-c1ccc(C=C(C(NC(N2)=S)=O)C2=O)o1)c1)c1[N+]([O-])=O

InChI

InChI=1S/C16H11N3O5S/c1-8-2-3-9(6-12(8)19(22)23)13-5-4-10(24-13)7-11-14(20)17-16(25)18-15(11)21/h2-7H,1H3,(H2,17,18,20,21,25)

InChI Key

KZBCQHXZKWJVRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02192469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.35

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.421

Distribution Coefficient, logD

2.983

Water Solubility, LogSw

-3.92

Polar Surface Area

90.276

Acid Dissociation Constant (pKa)

7.16

Base Dissociation Constant (pKb)

-10.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

References: we are preparing a list of scientific research reports with 4489-7491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4489-7491?
Check Price and Availability of 4489-7491, 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 4489-7491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4489-7491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4489-7491
  • 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 4489-7491 available by request