3609-0264 Screening compound: methyl 4-(3-{[(5Z)-1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate

3609-0264 Screening compound: methyl 4-(3-{[(5Z)-1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
3609-0264 Screening compound: methyl 4-(3-{[(5Z)-1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3609-0264
methyl 4-(3-{[(5Z)-1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate

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

3609-0264

Molecular Formula

C26H23N3O6 (C26 H23 N3 O6)

Compound Name

methyl 4-(3-{[(5Z)-1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate

IUPAC name

methyl 4-(3-{[(5Z)-1-(4-methoxyphenyl)-246-trioxo-13-diazinan-5-ylidene]methyl}-25-dimethyl-1H-pyrrol-1-yl)benzoate

SMILES

Cc1cc(/C=C(/C(NC(N2c(cc3)ccc3OC)=O)=O)\C2=O)c(C)n1-c(cc1)ccc1C(OC)=O

InChI

InChI=1S/C26H23N3O6/c1-15-13-18(16(2)28(15)19-7-5-17(6-8-19)25(32)35-4)14-22-23(30)27-26(33)29(24(22)31)20-9-11-21(34-3)12-10-20/h5-14H,1-4H3,(H,27,30,33)

InChI Key

PUHRARVYYYWISI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02194148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.206

Distribution Coefficient, logD

3.126

Water Solubility, LogSw

-3.51

Polar Surface Area

84.773

Acid Dissociation Constant (pKa)

8.09

Base Dissociation Constant (pKb)

-4.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

3609-0264 in Drug Discovery

Included in Screening Libraries

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 3609-0264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3609-0264?
Check Price and Availability of 3609-0264, 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 3609-0264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3609-0264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3609-0264
  • 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 3609-0264 available by request