2368-0491 Screening compound: (5E)-5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione

2368-0491 Screening compound: (5E)-5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
2368-0491 Screening compound: (5E)-5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2368-0491
(5E)-5-{[5-(2-chloro-5-nitrophenyl)furan-2-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

2368-0491

Molecular Formula

C22H14ClN3O6 (C22 H14 ClN3 O6)

Compound Name

(5E)-5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione

IUPAC name

(5E)-5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-1-(4-methylphenyl)-13-diazinane-246-trione

SMILES

Cc(cc1)ccc1N(C(/C(/C(N1)=O)=C/c2ccc(-c(cc(cc3)[N+]([O-])=O)c3Cl)o2)=O)C1=O

InChI

InChI=1S/C22H14ClN3O6/c1-12-2-4-13(5-3-12)25-21(28)17(20(27)24-22(25)29)11-15-7-9-19(32-15)16-10-14(26(30)31)6-8-18(16)23/h2-11H,1H3,(H,24,27,29)

InChI Key

OXFLBOCUBPKVKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01541238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.82

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.351

Distribution Coefficient, logD

4.039

Water Solubility, LogSw

-4.73

Polar Surface Area

94.342

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

-5.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

2368-0491 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2368-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2368-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2368-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2368-0491
  • 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 2368-0491 available by request