C301-9689 Screening compound: 3-{4-[(3-amino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]phenyl}-1-(4-methoxyphenyl)urea

C301-9689 Screening compound: 3-{4-[(3-amino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]phenyl}-1-(4-methoxyphenyl)urea
C301-9689 Screening compound: 3-{4-[(3-amino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]phenyl}-1-(4-methoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9689
3-{4-[(3-amino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]phenyl}-1-(4-methoxyphenyl)urea

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

C301-9689

Molecular Formula

C24H19N3O4S (C24 H19 N3 O4 S)

Compound Name

3-{4-[(3-amino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]phenyl}-1-(4-methoxyphenyl)urea

IUPAC name

3-{4-[(3-amino-14-dioxo-14-dihydronaphthalen-2-yl)sulfanyl]phenyl}-1-(4-methoxyphenyl)urea

SMILES

COc(cc1)ccc1NC(Nc(cc1)ccc1SC(C(c(cccc1)c1C1=O)=O)=C1N)=O

InChI

InChI=1S/C24H19N3O4S/c1-31-16-10-6-14(7-11-16)26-24(30)27-15-8-12-17(13-9-15)32-23-20(25)21(28)18-4-2-3-5-19(18)22(23)29/h2-13H,25H2,1H3,(H2,26,27,30)

InChI Key

SMWLKEWZAMGGKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14746070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.699

Distribution Coefficient, logD

4.699

Water Solubility, LogSw

-4.75

Polar Surface Area

87.134

Acid Dissociation Constant (pKa)

13.26

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

C301-9689 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C301-9689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9689?
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What is the minimum amount of C301-9689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9689
  • 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 C301-9689 available by request