C370-0555 Screening compound: 5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione

C370-0555 Screening compound: 5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
C370-0555 Screening compound: 5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C370-0555
5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione

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

C370-0555

Molecular Formula

C15H10N4O4S (C15 H10 N4 O4 S)

Compound Name

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

IUPAC name

5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-13-diazinane-46-dione

SMILES

[O-][N+](c(cc1)ccc1-n1c(C=C(C(NC(N2)=S)=O)C2=O)ccc1)=O

InChI

InChI=1S/C15H10N4O4S/c20-13-12(14(21)17-15(24)16-13)8-11-2-1-7-18(11)9-3-5-10(6-4-9)19(22)23/h1-8H,(H2,16,17,20,21,24)

InChI Key

GFNQUOQJWYCJOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00610346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.33

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.713

Distribution Coefficient, logD

2.343

Water Solubility, LogSw

-3.30

Polar Surface Area

85.537

Acid Dissociation Constant (pKa)

7.27

Base Dissociation Constant (pKb)

-4.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

C370-0555 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 C370-0555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C370-0555?
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What is the minimum amount of C370-0555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C370-0555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C370-0555
  • 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 C370-0555 available by request