3235-0258 Screening compound: 3,4-dimethoxybenzaldehyde O~1~-[(8,9-diphenylfuro[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]oxime

3235-0258 Screening compound: 3,4-dimethoxybenzaldehyde O~1~-[(8,9-diphenylfuro[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]oxime
3235-0258 Screening compound: 3,4-dimethoxybenzaldehyde O~1~-[(8,9-diphenylfuro[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]oxime alternative view

Chemical Structure Depiction of ChemDiv screening compound 3235-0258
3,4-dimethoxybenzaldehyde O~1~-[(8,9-diphenylfuro[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]oxime

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

3235-0258

Molecular Formula

C29H23N5O4 (C29 H23 N5 O4)

Compound Name

3,4-dimethoxybenzaldehyde O~1~-[(8,9-diphenylfuro[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]oxime

IUPAC name

(E)-[(34-dimethoxyphenyl)methylidene]({1112-diphenyl-10-oxa-3568-tetraazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaen-4-yl}methoxy)amine

SMILES

COc(ccc(/C=N/OCc1nn(cnc2c3c(-c4ccccc4)c(-c4ccccc4)o2)c3n1)c1)c1OC

InChI

InChI=1S/C29H23N5O4/c1-35-22-14-13-19(15-23(22)36-2)16-31-37-17-24-32-28-26-25(20-9-5-3-6-10-20)27(21-11-7-4-8-12-21)38-29(26)30-18-34(28)33-24/h3-16,18H,17H2,1-2H3

InChI Key

XFOUTBWIBNYXLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02042779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.373

Distribution Coefficient, logD

5.372

Water Solubility, LogSw

-5.84

Polar Surface Area

71.794

Acid Dissociation Constant (pKa)

28.06

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

3235-0258 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3235-0258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3235-0258?
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What is the minimum amount of 3235-0258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3235-0258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3235-0258
  • 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 3235-0258 available by request