8014-9267 Screening compound: ethyl 1-[4,6-bis(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,3-triazole-4-carboxylate

8014-9267 Screening compound: ethyl 1-[4,6-bis(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,3-triazole-4-carboxylate
8014-9267 Screening compound: ethyl 1-[4,6-bis(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,3-triazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9267
ethyl 1-[4,6-bis(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,3-triazole-4-carboxylate

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

8014-9267

Molecular Formula

C17H24N8O2 (C17 H24 N8 O2)

Compound Name

ethyl 1-[4,6-bis(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,3-triazole-4-carboxylate

IUPAC name

ethyl 1-[46-bis(pyrrolidin-1-yl)-135-triazin-2-yl]-5-methyl-1H-123-triazole-4-carboxylate

SMILES

CCOC(c1c(C)n(-c2nc(N3CCCC3)nc(N3CCCC3)n2)nn1)=O

InChI

InChI=1S/C17H24N8O2/c1-3-27-14(26)13-12(2)25(22-21-13)17-19-15(23-8-4-5-9-23)18-16(20-17)24-10-6-7-11-24/h3-11H2,1-2H3

InChI Key

ZXBGENBJCDLRMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03821002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.698

Distribution Coefficient, logD

3.698

Water Solubility, LogSw

-3.69

Polar Surface Area

82.119

Acid Dissociation Constant (pKa)

17.82

Base Dissociation Constant (pKb)

1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.70

References: we are preparing a list of scientific research reports with 8014-9267 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9267?
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What is the minimum amount of 8014-9267 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9267
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9267
  • 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 8014-9267 available by request