4072-2770 Screening compound: 2-(2-methoxyphenyl)-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]pyrimidine

4072-2770 Screening compound: 2-(2-methoxyphenyl)-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]pyrimidine
4072-2770 Screening compound: 2-(2-methoxyphenyl)-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]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4072-2770
2-(2-methoxyphenyl)-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]pyrimidine

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

4072-2770

Molecular Formula

C21H23N5OS (C21 H23 N5 OS)

Compound Name

2-(2-methoxyphenyl)-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]pyrimidine

IUPAC name

4-(2-methoxyphenyl)-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(-c(cccc3)c3OC)nn1cn1)c1s2

InChI

InChI=1S/C21H23N5OS/c1-20(2)10-13-15-18-23-17(12-8-6-7-9-14(12)27-5)24-26(18)11-22-19(15)28-16(13)21(3,4)25-20/h6-9,11,25H,10H2,1-5H3

InChI Key

GKVSDMTYFVVNIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02995194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.835

Distribution Coefficient, logD

3.757

Water Solubility, LogSw

-4.41

Polar Surface Area

52.486

Acid Dissociation Constant (pKa)

24.42

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

4072-2770 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 4072-2770 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4072-2770?
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What is the minimum amount of 4072-2770 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4072-2770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4072-2770
  • 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 4072-2770 available by request