8009-2199 Screening compound: N2,N4-di-tert-butyl-6-(4-{[1,2,3,4]tetrazolo[1,5-b]pyridazin-6-yl}piperazin-1-yl)-1,3,5-triazine-2,4-diamine

8009-2199 Screening compound: N2,N4-di-tert-butyl-6-(4-{[1,2,3,4]tetrazolo[1,5-b]pyridazin-6-yl}piperazin-1-yl)-1,3,5-triazine-2,4-diamine
8009-2199 Screening compound: N2,N4-di-tert-butyl-6-(4-{[1,2,3,4]tetrazolo[1,5-b]pyridazin-6-yl}piperazin-1-yl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-2199
N2,N4-di-tert-butyl-6-(4-{[1,2,3,4]tetrazolo[1,5-b]pyridazin-6-yl}piperazin-1-yl)-1,3,5-triazine-2,4-diamine

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

8009-2199

Molecular Formula

C19H30N12 (C19 H30 N12)

Compound Name

N2,N4-di-tert-butyl-6-(4-{[1,2,3,4]tetrazolo[1,5-b]pyridazin-6-yl}piperazin-1-yl)-1,3,5-triazine-2,4-diamine

IUPAC name

N2N4-di-tert-butyl-6-(4-{[1234]tetrazolo[15-b]pyridazin-6-yl}piperazin-1-yl)-135-triazine-24-diamine

SMILES

CC(C)(C)Nc1nc(N(CC2)CCN2c2nn3nnnc3cc2)nc(NC(C)(C)C)n1

InChI

InChI=1S/C19H30N12/c1-18(2,3)23-15-20-16(24-19(4,5)6)22-17(21-15)30-11-9-29(10-12-30)14-8-7-13-25-27-28-31(13)26-14/h7-8H,9-12H2,1-6H3,(H2,20,21,22,23,24)

InChI Key

CBWCLNLMBBPSJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01572435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.300

Distribution Coefficient, logD

4.292

Water Solubility, LogSw

-4.18

Polar Surface Area

102.562

Acid Dissociation Constant (pKa)

17.09

Base Dissociation Constant (pKb)

5.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.20

8009-2199 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8009-2199 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8009-2199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-2199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-2199
  • 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 8009-2199 available by request