3331-4712 Screening compound: 4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide

3331-4712 Screening compound: 4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide
3331-4712 Screening compound: 4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3331-4712
4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide

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

3331-4712

Molecular Formula

C28H26N2O5S (C28 H26 N2 O5 S)

Compound Name

4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide

IUPAC name

4-[(35-dimethylpiperidin-1-yl)sulfonyl]-N-(910-dioxo-910-dihydroanthracen-1-yl)benzamide

SMILES

CC(CC(C)C1)CN1S(c(cc1)ccc1C(Nc(cccc1C(c2c3cccc2)=O)c1C3=O)=O)(=O)=O

InChI

InChI=1S/C28H26N2O5S/c1-17-14-18(2)16-30(15-17)36(34,35)20-12-10-19(11-13-20)28(33)29-24-9-5-8-23-25(24)27(32)22-7-4-3-6-21(22)26(23)31/h3-13,17-18H,14-16H2,1-2H3,(H,29,33)

InChI Key

FIXVMUDJEAPWBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04409395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.592

Distribution Coefficient, logD

5.530

Water Solubility, LogSw

-5.52

Polar Surface Area

80.152

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

-4.13

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

3331-4712 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 3331-4712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3331-4712?
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What is the minimum amount of 3331-4712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3331-4712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3331-4712
  • 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 3331-4712 available by request