8013-6252 Screening compound: ethyl 2-{[4-(4-acetyl-5-methyl-1H-1,2,3-triazol-1-yl)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]amino}acetate

8013-6252 Screening compound: ethyl 2-{[4-(4-acetyl-5-methyl-1H-1,2,3-triazol-1-yl)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]amino}acetate
8013-6252 Screening compound: ethyl 2-{[4-(4-acetyl-5-methyl-1H-1,2,3-triazol-1-yl)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]amino}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-6252
ethyl 2-{[4-(4-acetyl-5-methyl-1H-1,2,3-triazol-1-yl)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]amino}acetate

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

8013-6252

Molecular Formula

C16H22N8O4 (C16 H22 N8 O4)

Compound Name

ethyl 2-{[4-(4-acetyl-5-methyl-1H-1,2,3-triazol-1-yl)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]amino}acetate

IUPAC name

ethyl 2-{[4-(4-acetyl-5-methyl-1H-123-triazol-1-yl)-6-(morpholin-4-yl)-135-triazin-2-yl]amino}acetate

SMILES

CCOC(CNc1nc(N2CCOCC2)nc(-n2nnc(C(C)=O)c2C)n1)=O

InChI

InChI=1S/C16H22N8O4/c1-4-28-12(26)9-17-14-18-15(23-5-7-27-8-6-23)20-16(19-14)24-10(2)13(11(3)25)21-22-24/h4-9H2,1-3H3,(H,17,18,19,20)

InChI Key

ONJURQDSJRZNAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03767110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.259

Distribution Coefficient, logD

1.259

Water Solubility, LogSw

-1.45

Polar Surface Area

111.788

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

References: we are preparing a list of scientific research reports with 8013-6252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-6252?
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What is the minimum amount of 8013-6252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-6252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-6252
  • 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 8013-6252 available by request