8104-08472 Screening compound: N-tert-butyl-2-{2-ethoxy-4-[({2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}amino)methyl]phenoxy}acetamide

8104-08472 Screening compound: N-tert-butyl-2-{2-ethoxy-4-[({2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}amino)methyl]phenoxy}acetamide
8104-08472 Screening compound: N-tert-butyl-2-{2-ethoxy-4-[({2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}amino)methyl]phenoxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8104-08472
N-tert-butyl-2-{2-ethoxy-4-[({2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}amino)methyl]phenoxy}acetamide

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

8104-08472

Molecular Formula

C24H32N6O3S (C24 H32 N6 O3 S)

Compound Name

N-tert-butyl-2-{2-ethoxy-4-[({2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}amino)methyl]phenoxy}acetamide

IUPAC name

N-tert-butyl-2-{2-ethoxy-4-[({2-[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]ethyl}amino)methyl]phenoxy}acetamide

SMILES

CCOc(cc(CNCCSc1nnnn1-c1ccccc1)cc1)c1OCC(NC(C)(C)C)=O

InChI

InChI=1S/C24H32N6O3S/c1-5-32-21-15-18(11-12-20(21)33-17-22(31)26-24(2,3)4)16-25-13-14-34-23-27-28-29-30(23)19-9-7-6-8-10-19/h6-12,15,25H,5,13-14,16-17H2,1-4H3,(H,26,31)

InChI Key

XPBNAJNGNRVZSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07409549

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

484.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.646

Distribution Coefficient, logD

-1.089

Water Solubility, LogSw

-3.08

Polar Surface Area

89.859

Acid Dissociation Constant (pKa)

15.22

Base Dissociation Constant (pKb)

11.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

8104-08472 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8104-08472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8104-08472?
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What is the minimum amount of 8104-08472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8104-08472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8104-08472
  • 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 8104-08472 available by request