4999-2170 Screening compound: (5E)-1-(4-methoxyphenyl)-5-({1-[(4-methylphenyl)methyl]-1H-indol-3-yl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione

4999-2170 Screening compound: (5E)-1-(4-methoxyphenyl)-5-({1-[(4-methylphenyl)methyl]-1H-indol-3-yl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
4999-2170 Screening compound: (5E)-1-(4-methoxyphenyl)-5-({1-[(4-methylphenyl)methyl]-1H-indol-3-yl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4999-2170
(5E)-1-(4-methoxyphenyl)-5-({1-[(4-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

4999-2170

Molecular Formula

C28H23N3O3S (C28 H23 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(Cn2c(cccc3)c3c(/C=C(\C(NC(N3c(cc4)ccc4OC)=S)=O)/C3=O)c2)cc1

InChI

InChI=1S/C28H23N3O3S/c1-18-7-9-19(10-8-18)16-30-17-20(23-5-3-4-6-25(23)30)15-24-26(32)29-28(35)31(27(24)33)21-11-13-22(34-2)14-12-21/h3-15,17H,16H2,1-2H3,(H,29,32,35)

InChI Key

YVHAAOOPYWHJAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05041603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.733

Distribution Coefficient, logD

4.060

Water Solubility, LogSw

-4.53

Polar Surface Area

49.504

Acid Dissociation Constant (pKa)

6.83

Base Dissociation Constant (pKb)

-3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

References: we are preparing a list of scientific research reports with 4999-2170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4999-2170?
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What is the minimum amount of 4999-2170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4999-2170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4999-2170
  • 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 4999-2170 available by request