4681-3903 Screening compound: 1,3-dimethyl-5-[(1-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}-1H-indol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

4681-3903 Screening compound: 1,3-dimethyl-5-[(1-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}-1H-indol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
4681-3903 Screening compound: 1,3-dimethyl-5-[(1-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}-1H-indol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4681-3903
1,3-dimethyl-5-[(1-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}-1H-indol-3-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

4681-3903

Molecular Formula

C25H21N5O3S (C25 H21 N5 O3 S)

Compound Name

1,3-dimethyl-5-[(1-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}-1H-indol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

13-dimethyl-5-[(1-{[5-(4-methylphenyl)-124-oxadiazol-3-yl]methyl}-1H-indol-3-yl)methylidene]-2-sulfanylidene-13-diazinane-46-dione

SMILES

Cc(cc1)ccc1-c1nc(Cn2c(cccc3)c3c(C=C(C(N(C)C(N3C)=S)=O)C3=O)c2)no1

InChI

InChI=1S/C25H21N5O3S/c1-15-8-10-16(11-9-15)22-26-21(27-33-22)14-30-13-17(18-6-4-5-7-20(18)30)12-19-23(31)28(2)25(34)29(3)24(19)32/h4-13H,14H2,1-3H3

InChI Key

DRDZGOPSXVIXLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03214656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.157

Distribution Coefficient, logD

3.157

Water Solubility, LogSw

-3.06

Polar Surface Area

66.218

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

-3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with 4681-3903 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 4681-3903 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4681-3903
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4681-3903
  • 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 4681-3903 available by request