3269-0170 Screening compound: (5E)-5-{[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene}-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

3269-0170 Screening compound: (5E)-5-{[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene}-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
3269-0170 Screening compound: (5E)-5-{[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene}-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3269-0170
(5E)-5-{[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene}-1-(4-methylphenyl)-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

3269-0170

Molecular Formula

C23H17BrN2O3S (C23 H17 BrN2 O3 S)

Compound Name

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

IUPAC name

(5E)-5-{[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene}-1-(4-methylphenyl)-2-sulfanylidene-13-diazinane-46-dione

SMILES

Cc(cc1)ccc1N(C(/C(/C(N1)=O)=C/c2ccc(-c(ccc(C)c3)c3Br)o2)=O)C1=S

InChI

InChI=1S/C23H17BrN2O3S/c1-13-3-6-15(7-4-13)26-22(28)18(21(27)25-23(26)30)12-16-8-10-20(29-16)17-9-5-14(2)11-19(17)24/h3-12H,1-2H3,(H,25,27,30)

InChI Key

HTSIAYXJPZYSEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01829526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.419

Distribution Coefficient, logD

5.033

Water Solubility, LogSw

-5.39

Polar Surface Area

47.798

Acid Dissociation Constant (pKa)

7.24

Base Dissociation Constant (pKb)

-8.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with 3269-0170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3269-0170?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3269-0170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3269-0170
  • 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 3269-0170 available by request