5169-0002 Screening compound: 3,4-dimethoxybenzaldehyde O~1~-[(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]oxime

5169-0002 Screening compound: 3,4-dimethoxybenzaldehyde O~1~-[(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]oxime
5169-0002 Screening compound: 3,4-dimethoxybenzaldehyde O~1~-[(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]oxime alternative view

Chemical Structure Depiction of ChemDiv screening compound 5169-0002
3,4-dimethoxybenzaldehyde O~1~-[(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]oxime

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

5169-0002

Molecular Formula

C24H28N6O3S (C24 H28 N6 O3 S)

Compound Name

3,4-dimethoxybenzaldehyde O~1~-[(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]oxime

IUPAC name

(Z)-[(34-dimethoxyphenyl)methylidene]({12121414-tetramethyl-10-thia-356813-pentaazatetracyclo[7.7.0.0^{26}.0^{1116}]hexadeca-1(9)24711(16)-pentaen-4-yl}methoxy)amine

SMILES

CC(C)(C1)NC(C)(C)c2c1c(c1nc(CO/N=C\c(cc3)cc(OC)c3OC)nn1cn1)c1s2

InChI

InChI=1S/C24H28N6O3S/c1-23(2)10-15-19-21-27-18(12-33-26-11-14-7-8-16(31-5)17(9-14)32-6)28-30(21)13-25-22(19)34-20(15)24(3,4)29-23/h7-9,11,13,29H,10,12H2,1-6H3

InChI Key

XKDOAADHHRKYIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03486968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.614

Distribution Coefficient, logD

3.535

Water Solubility, LogSw

-4.16

Polar Surface Area

78.479

Acid Dissociation Constant (pKa)

24.42

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

5169-0002 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5169-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5169-0002?
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What is the minimum amount of 5169-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5169-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5169-0002
  • 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 5169-0002 available by request