8008-5120 Screening compound: 5-({4-[(2-chlorophenyl)methoxy]phenyl}methylidene)-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

8008-5120 Screening compound: 5-({4-[(2-chlorophenyl)methoxy]phenyl}methylidene)-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
8008-5120 Screening compound: 5-({4-[(2-chlorophenyl)methoxy]phenyl}methylidene)-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-5120
5-({4-[(2-chlorophenyl)methoxy]phenyl}methylidene)-1,3-diphenyl-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

8008-5120

Molecular Formula

C30H21ClN2O3S (C30 H21 ClN2 O3 S)

Compound Name

5-({4-[(2-chlorophenyl)methoxy]phenyl}methylidene)-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

5-({4-[(2-chlorophenyl)methoxy]phenyl}methylidene)-13-diphenyl-2-sulfanylidene-13-diazinane-46-dione

SMILES

O=C(C(C(N1c2ccccc2)=O)=Cc(cc2)ccc2OCc(cccc2)c2Cl)N(c2ccccc2)C1=S

InChI

InChI=1S/C30H21ClN2O3S/c31-27-14-8-7-9-22(27)20-36-25-17-15-21(16-18-25)19-26-28(34)32(23-10-3-1-4-11-23)30(37)33(29(26)35)24-12-5-2-6-13-24/h1-19H,20H2

InChI Key

LMDAVKWBQVWGFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01305189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.03

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.597

Distribution Coefficient, logD

5.597

Water Solubility, LogSw

-6.08

Polar Surface Area

37.748

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

-10.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.30

References: we are preparing a list of scientific research reports with 8008-5120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-5120?
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What is the minimum amount of 8008-5120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-5120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-5120
  • 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 8008-5120 available by request