C370-0958 Screening compound: (5Z)-1-(4-methoxyphenyl)-5-{[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-1,3-diazinane-2,4,6-trione

C370-0958 Screening compound: (5Z)-1-(4-methoxyphenyl)-5-{[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
C370-0958 Screening compound: (5Z)-1-(4-methoxyphenyl)-5-{[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound C370-0958
(5Z)-1-(4-methoxyphenyl)-5-{[1-(3-nitrophenyl)-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

C370-0958

Molecular Formula

C22H16N4O6 (C22 H16 N4 O6)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1N(C(/C(/C(N1)=O)=C\c2cccn2-c2cccc([N+]([O-])=O)c2)=O)C1=O

InChI

InChI=1S/C22H16N4O6/c1-32-18-9-7-14(8-10-18)25-21(28)19(20(27)23-22(25)29)13-16-6-3-11-24(16)15-4-2-5-17(12-15)26(30)31/h2-13H,1H3,(H,23,27,29)

InChI Key

ZXWDSLASBHPQHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02107287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.39

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.025

Distribution Coefficient, logD

2.766

Water Solubility, LogSw

-3.54

Polar Surface Area

96.845

Acid Dissociation Constant (pKa)

7.49

Base Dissociation Constant (pKb)

-5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

C370-0958 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 C370-0958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C370-0958?
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What is the minimum amount of C370-0958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C370-0958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C370-0958
  • 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 C370-0958 available by request