2368-0396 Screening compound: (5Z)-5-{[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione

2368-0396 Screening compound: (5Z)-5-{[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
2368-0396 Screening compound: (5Z)-5-{[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2368-0396
(5Z)-5-{[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione

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

2368-0396

Molecular Formula

C24H20IN3O3 (C24 H20 IN3 O3)

Compound Name

(5Z)-5-{[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione

IUPAC name

(5Z)-5-{[1-(4-iodophenyl)-25-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-methylphenyl)-13-diazinane-246-trione

SMILES

Cc1cc(/C=C(/C(NC(N2c3ccc(C)cc3)=O)=O)\C2=O)c(C)n1-c(cc1)ccc1I

InChI

InChI=1S/C24H20IN3O3/c1-14-4-8-20(9-5-14)28-23(30)21(22(29)26-24(28)31)13-17-12-15(2)27(16(17)3)19-10-6-18(25)7-11-19/h4-13H,1-3H3,(H,26,29,31)

InChI Key

BBGPCBRYOLWPDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01541208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.767

Distribution Coefficient, logD

4.686

Water Solubility, LogSw

-4.54

Polar Surface Area

56.056

Acid Dissociation Constant (pKa)

8.09

Base Dissociation Constant (pKb)

-3.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 2368-0396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2368-0396?
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What is the minimum amount of 2368-0396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2368-0396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2368-0396
  • 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 2368-0396 available by request