2938-0303 Screening compound: ethyl 4-(3-{[(5Z)-1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-diphenyl-1H-pyrrol-1-yl)benzoate

2938-0303 Screening compound: ethyl 4-(3-{[(5Z)-1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-diphenyl-1H-pyrrol-1-yl)benzoate
2938-0303 Screening compound: ethyl 4-(3-{[(5Z)-1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-diphenyl-1H-pyrrol-1-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2938-0303
ethyl 4-(3-{[(5Z)-1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-diphenyl-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

2938-0303

Molecular Formula

C38H31N3O5S (C38 H31 N3 O5 S)

Compound Name

ethyl 4-(3-{[(5Z)-1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-diphenyl-1H-pyrrol-1-yl)benzoate

IUPAC name

ethyl 4-(3-{[(5Z)-1-(3-ethoxyphenyl)-46-dioxo-2-sulfanylidene-13-diazinan-5-ylidene]methyl}-25-diphenyl-1H-pyrrol-1-yl)benzoate

SMILES

CCOC(c(cc1)ccc1-n1c(-c2ccccc2)c(/C=C(/C(NC(N2c3cc(OCC)ccc3)=S)=O)\C2=O)cc1-c1ccccc1)=O

InChI

InChI=1S/C38H31N3O5S/c1-3-45-31-17-11-16-30(24-31)41-36(43)32(35(42)39-38(41)47)22-28-23-33(25-12-7-5-8-13-25)40(34(28)26-14-9-6-10-15-26)29-20-18-27(19-21-29)37(44)46-4-2/h5-24H,3-4H2,1-2H3,(H,39,42,47)

InChI Key

QQOLCOFIXZEJFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

641.75

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.770

Distribution Coefficient, logD

7.567

Water Solubility, LogSw

-5.72

Polar Surface Area

68.286

Acid Dissociation Constant (pKa)

7.62

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

2938-0303 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2938-0303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2938-0303?
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What is the minimum amount of 2938-0303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2938-0303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2938-0303
  • 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 2938-0303 available by request