4490-1239 Screening compound: (5Z)-1-(4-butylphenyl)-5-({1-[(3-methylphenyl)methyl]-1H-indol-3-yl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione

4490-1239 Screening compound: (5Z)-1-(4-butylphenyl)-5-({1-[(3-methylphenyl)methyl]-1H-indol-3-yl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
4490-1239 Screening compound: (5Z)-1-(4-butylphenyl)-5-({1-[(3-methylphenyl)methyl]-1H-indol-3-yl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4490-1239
(5Z)-1-(4-butylphenyl)-5-({1-[(3-methylphenyl)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

4490-1239

Molecular Formula

C31H29N3O2S (C31 H29 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCc(cc1)ccc1N(C(/C(/C(N1)=O)=C\c2cn(Cc3cc(C)ccc3)c3c2cccc3)=O)C1=S

InChI

InChI=1S/C31H29N3O2S/c1-3-4-9-22-13-15-25(16-14-22)34-30(36)27(29(35)32-31(34)37)18-24-20-33(28-12-6-5-11-26(24)28)19-23-10-7-8-21(2)17-23/h5-8,10-18,20H,3-4,9,19H2,1-2H3,(H,32,35,37)

InChI Key

BEUAGTGCMQRGHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02379179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.943

Distribution Coefficient, logD

6.271

Water Solubility, LogSw

-5.78

Polar Surface Area

41.960

Acid Dissociation Constant (pKa)

6.83

Base Dissociation Constant (pKb)

-3.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.40

References: we are preparing a list of scientific research reports with 4490-1239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4490-1239?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4490-1239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4490-1239
  • 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 4490-1239 available by request