SA31-0084 Screening compound: N-{2-[ethyl(phenyl)amino]ethyl}-3,5-dimethyl-5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide

SA31-0084 Screening compound: N-{2-[ethyl(phenyl)amino]ethyl}-3,5-dimethyl-5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide
SA31-0084 Screening compound: N-{2-[ethyl(phenyl)amino]ethyl}-3,5-dimethyl-5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA31-0084
N-{2-[ethyl(phenyl)amino]ethyl}-3,5-dimethyl-5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide

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

SA31-0084

Molecular Formula

C18H25N5O2 (C18 H25 N5 O2)

Compound Name

N-{2-[ethyl(phenyl)amino]ethyl}-3,5-dimethyl-5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide

IUPAC name

N-{2-[ethyl(phenyl)amino]ethyl}-35-dimethyl-5H6H8H-[124]triazolo[34-c][14]oxazine-5-carboxamide

SMILES

CCN(CCNC(C(C)(COC1)n2c1nnc2C)=O)c1ccccc1

InChI

InChI=1S/C18H25N5O2/c1-4-22(15-8-6-5-7-9-15)11-10-19-17(24)18(3)13-25-12-16-21-20-14(2)23(16)18/h5-9H,4,10-13H2,1-3H3,(H,19,24)/t18-/m0/s1

InChI Key

QCDHTUILUCNEIR-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32237180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.602

Distribution Coefficient, logD

0.594

Water Solubility, LogSw

-1.82

Polar Surface Area

62.963

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

5.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

SA31-0084 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA31-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA31-0084?
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What is the minimum amount of SA31-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA31-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA31-0084
  • 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 SA31-0084 available by request