8013-3133 Screening compound: nonyl 2-[(4-(diphenylamino)-6-{[2-(nonyloxy)-2-oxoethyl]sulfanyl}-1,3,5-triazin-2-yl)sulfanyl]acetate

8013-3133 Screening compound: nonyl 2-[(4-(diphenylamino)-6-{[2-(nonyloxy)-2-oxoethyl]sulfanyl}-1,3,5-triazin-2-yl)sulfanyl]acetate
8013-3133 Screening compound: nonyl 2-[(4-(diphenylamino)-6-{[2-(nonyloxy)-2-oxoethyl]sulfanyl}-1,3,5-triazin-2-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3133
nonyl 2-[(4-(diphenylamino)-6-{[2-(nonyloxy)-2-oxoethyl]sulfanyl}-1,3,5-triazin-2-yl)sulfanyl]acetate

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

8013-3133

Molecular Formula

C37H52N4O4S2 (C37 H52 N4 O4 S2)

Compound Name

nonyl 2-[(4-(diphenylamino)-6-{[2-(nonyloxy)-2-oxoethyl]sulfanyl}-1,3,5-triazin-2-yl)sulfanyl]acetate

IUPAC name

nonyl 2-{[4-(diphenylamino)-6-{[2-(nonyloxy)-2-oxoethyl]sulfanyl}-135-triazin-2-yl]sulfanyl}acetate

SMILES

CCCCCCCCCOC(CSc1nc(N(c2ccccc2)c2ccccc2)nc(SCC(OCCCCCCCCC)=O)n1)=O

InChI

InChI=1S/C37H52N4O4S2/c1-3-5-7-9-11-13-21-27-44-33(42)29-46-36-38-35(41(31-23-17-15-18-24-31)32-25-19-16-20-26-32)39-37(40-36)47-30-34(43)45-28-22-14-12-10-8-6-4-2/h15-20,23-26H,3-14,21-22,27-30H2,1-2H3

InChI Key

UTULFIIKLQASHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03765977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

680.98

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

27.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

11.957

Distribution Coefficient, logD

11.957

Water Solubility, LogSw

-5.76

Polar Surface Area

69.056

Acid Dissociation Constant (pKa)

15.99

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.05

8013-3133 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8013-3133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3133?
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What is the minimum amount of 8013-3133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3133
  • 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 8013-3133 available by request