5137-3653 Screening compound: 2,3-dimethylphenyl [(8,8,10,10-tetramethyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl] ether

5137-3653 Screening compound: 2,3-dimethylphenyl [(8,8,10,10-tetramethyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl] ether
5137-3653 Screening compound: 2,3-dimethylphenyl [(8,8,10,10-tetramethyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl] ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 5137-3653
2,3-dimethylphenyl [(8,8,10,10-tetramethyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl] ether

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

5137-3653

Molecular Formula

C23H27N5OS (C23 H27 N5 OS)

Compound Name

2,3-dimethylphenyl [(8,8,10,10-tetramethyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl] ether

IUPAC name

4-[(23-dimethylphenoxy)methyl]-12121414-tetramethyl-10-thia-356813-pentaazatetracyclo[7.7.0.0^{26}.0^{1116}]hexadeca-1(9)24711(16)-pentaene

SMILES

CC(C)(C1)NC(C)(C)c2c1c(c1nc(COc3c(C)c(C)ccc3)nn1cn1)c1s2

InChI

InChI=1S/C23H27N5OS/c1-13-8-7-9-16(14(13)2)29-11-17-25-20-18-15-10-22(3,4)27-23(5,6)19(15)30-21(18)24-12-28(20)26-17/h7-9,12,27H,10-11H2,1-6H3

InChI Key

VPQNTVWIPNJFJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03691332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.645

Distribution Coefficient, logD

4.566

Water Solubility, LogSw

-4.66

Polar Surface Area

53.432

Acid Dissociation Constant (pKa)

24.42

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

5137-3653 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5137-3653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5137-3653?
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What is the minimum amount of 5137-3653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5137-3653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5137-3653
  • 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 5137-3653 available by request