C370-0431 Screening compound: 5-{[1-(3-chloro-4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-1,3-diazinane-2,4,6-trione

C370-0431 Screening compound: 5-{[1-(3-chloro-4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
C370-0431 Screening compound: 5-{[1-(3-chloro-4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound C370-0431
5-{[1-(3-chloro-4-methoxyphenyl)-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

C370-0431

Molecular Formula

C16H12ClN3O4 (C16 H12 ClN3 O4)

Compound Name

5-{[1-(3-chloro-4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-1,3-diazinane-2,4,6-trione

IUPAC name

5-{[1-(3-chloro-4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-13-diazinane-246-trione

SMILES

COc(ccc(-n1c(C=C(C(NC(N2)=O)=O)C2=O)ccc1)c1)c1Cl

InChI

InChI=1S/C16H12ClN3O4/c1-24-13-5-4-10(8-12(13)17)20-6-2-3-9(20)7-11-14(21)18-16(23)19-15(11)22/h2-8H,1H3,(H2,18,19,21,22,23)

InChI Key

GSLOUHIRKLQWQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.74

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.036

Distribution Coefficient, logD

1.738

Water Solubility, LogSw

-3.10

Polar Surface Area

72.803

Acid Dissociation Constant (pKa)

7.40

Base Dissociation Constant (pKb)

-4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

C370-0431 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C370-0431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C370-0431?
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What is the minimum amount of C370-0431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C370-0431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C370-0431
  • 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 C370-0431 available by request