8012-5956 Screening compound: (5E)-1-(2-chlorophenyl)-5-[(1H-pyrrol-2-yl)methylidene]-1,3-diazinane-2,4,6-trione

8012-5956 Screening compound: (5E)-1-(2-chlorophenyl)-5-[(1H-pyrrol-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
8012-5956 Screening compound: (5E)-1-(2-chlorophenyl)-5-[(1H-pyrrol-2-yl)methylidene]-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5956
(5E)-1-(2-chlorophenyl)-5-[(1H-pyrrol-2-yl)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

8012-5956

Molecular Formula

C15H10ClN3O3 (C15 H10 ClN3 O3)

Compound Name

(5E)-1-(2-chlorophenyl)-5-[(1H-pyrrol-2-yl)methylidene]-1,3-diazinane-2,4,6-trione

IUPAC name

(5E)-1-(2-chlorophenyl)-5-[(1H-pyrrol-2-yl)methylidene]-13-diazinane-246-trione

SMILES

O=C(/C(/C(N1c(cccc2)c2Cl)=O)=C\c2ccc[nH]2)NC1=O

InChI

InChI=1S/C15H10ClN3O3/c16-11-5-1-2-6-12(11)19-14(21)10(13(20)18-15(19)22)8-9-4-3-7-17-9/h1-8,17H,(H,18,20,22)

InChI Key

YDDCIJKITBNBJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01953117

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.72

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.043

Distribution Coefficient, logD

1.100

Water Solubility, LogSw

-2.81

Polar Surface Area

63.651

Acid Dissociation Constant (pKa)

6.51

Base Dissociation Constant (pKb)

-4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8012-5956 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 8012-5956 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5956?
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What is the minimum amount of 8012-5956 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5956
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5956
  • 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 8012-5956 available by request