1317-0341 Screening compound: (5E)-1-(4-chlorophenyl)-5-{[4-(diethylamino)phenyl]methylidene}-1,3-diazinane-2,4,6-trione

1317-0341 Screening compound: (5E)-1-(4-chlorophenyl)-5-{[4-(diethylamino)phenyl]methylidene}-1,3-diazinane-2,4,6-trione
1317-0341 Screening compound: (5E)-1-(4-chlorophenyl)-5-{[4-(diethylamino)phenyl]methylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1317-0341
(5E)-1-(4-chlorophenyl)-5-{[4-(diethylamino)phenyl]methylidene}-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

1317-0341

Molecular Formula

C21H20ClN3O3 (C21 H20 ClN3 O3)

Compound Name

(5E)-1-(4-chlorophenyl)-5-{[4-(diethylamino)phenyl]methylidene}-1,3-diazinane-2,4,6-trione

IUPAC name

(5E)-1-(4-chlorophenyl)-5-{[4-(diethylamino)phenyl]methylidene}-13-diazinane-246-trione

SMILES

CCN(CC)c1ccc(/C=C(\C(NC(N2c(cc3)ccc3Cl)=O)=O)/C2=O)cc1

InChI

InChI=1S/C21H20ClN3O3/c1-3-24(4-2)16-9-5-14(6-10-16)13-18-19(26)23-21(28)25(20(18)27)17-11-7-15(22)8-12-17/h5-13H,3-4H2,1-2H3,(H,23,26,28)

InChI Key

YRVNGDOPTRPBPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00552568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.795

Distribution Coefficient, logD

3.492

Water Solubility, LogSw

-4.68

Polar Surface Area

56.127

Acid Dissociation Constant (pKa)

7.40

Base Dissociation Constant (pKb)

8.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 1317-0341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1317-0341?
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What is the minimum amount of 1317-0341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1317-0341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1317-0341
  • 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 1317-0341 available by request