SD18-0251 Screening compound: 2-(2-ethyl-3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N~1~-(1-ethyl-4-piperidyl)-N~1~-(2-thienylmethyl)acetamide

SD18-0251 Screening compound: 2-(2-ethyl-3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N~1~-(1-ethyl-4-piperidyl)-N~1~-(2-thienylmethyl)acetamide
SD18-0251 Screening compound: 2-(2-ethyl-3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N~1~-(1-ethyl-4-piperidyl)-N~1~-(2-thienylmethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD18-0251
2-(2-ethyl-3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N~1~-(1-ethyl-4-piperidyl)-N~1~-(2-thienylmethyl)acetamide

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

SD18-0251

Molecular Formula

C21H31N5O3S (C21 H31 N5 O3 S)

Compound Name

2-(2-ethyl-3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N~1~-(1-ethyl-4-piperidyl)-N~1~-(2-thienylmethyl)acetamide

IUPAC name

2-{2-ethyl-3-oxo-2H3H5H6H8H-[124]triazolo[34-c][14]oxazin-8-yl}-N-(1-ethylpiperidin-4-yl)-N-[(thiophen-2-yl)methyl]acetamide

SMILES

CCN1N=C(C(CC(N(Cc2cccs2)C2CCN(CC)CC2)=O)OCC2)N2C1=O

InChI

InChI=1S/C21H31N5O3S/c1-3-23-9-7-16(8-10-23)25(15-17-6-5-13-30-17)19(27)14-18-20-22-26(4-2)21(28)24(20)11-12-29-18/h5-6,13,16,18H,3-4,7-12,14-15H2,1-2H3/t18-/m0/s1

InChI Key

KCWQOLBHQJBTOJ-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.163

Distribution Coefficient, logD

-0.137

Water Solubility, LogSw

-2.41

Polar Surface Area

60.126

Acid Dissociation Constant (pKa)

19.01

Base Dissociation Constant (pKb)

9.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

SD18-0251 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 SD18-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD18-0251?
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What is the minimum amount of SD18-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD18-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD18-0251
  • 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 SD18-0251 available by request