3609-0251 Screening compound: (5Z)-5-{[1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-phenyl-1,3-diazinane-2,4,6-trione

3609-0251 Screening compound: (5Z)-5-{[1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-phenyl-1,3-diazinane-2,4,6-trione
3609-0251 Screening compound: (5Z)-5-{[1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-phenyl-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3609-0251
(5Z)-5-{[1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-phenyl-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

3609-0251

Molecular Formula

C21H14N4O5 (C21 H14 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c1cc(-n2cc(/C=C(/C(NC(N3c4ccccc4)=O)=O)\C3=O)cc2)ccc1)=O

InChI

InChI=1S/C21H14N4O5/c26-19-18(20(27)24(21(28)22-19)15-5-2-1-3-6-15)11-14-9-10-23(13-14)16-7-4-8-17(12-16)25(29)30/h1-13H,(H,22,26,28)

InChI Key

JRYUFKMHZJLZOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02379233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.37

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.585

Distribution Coefficient, logD

2.270

Water Solubility, LogSw

-3.05

Polar Surface Area

90.651

Acid Dissociation Constant (pKa)

7.37

Base Dissociation Constant (pKb)

-5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3609-0251 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3609-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3609-0251?
Check Price and Availability of 3609-0251, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3609-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3609-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3609-0251
  • 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 3609-0251 available by request