SD07-0899 Screening compound: 1-ethyl-N-({1-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)-1H-pyrazole-5-carboxamide

SD07-0899 Screening compound: 1-ethyl-N-({1-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)-1H-pyrazole-5-carboxamide
SD07-0899 Screening compound: 1-ethyl-N-({1-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)-1H-pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD07-0899
1-ethyl-N-({1-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)-1H-pyrazole-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

SD07-0899

Molecular Formula

C21H26N8O3 (C21 H26 N8 O3)

Compound Name

1-ethyl-N-({1-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)-1H-pyrazole-5-carboxamide

IUPAC name

1-ethyl-N-{[1'-(1-methyl-1H-pyrrole-2-carbonyl)-47-dihydrospiro[[123]triazolo[43-c][14]oxazine-63'-pyrrolidin]-3-yl]methyl}-1H-pyrazole-5-carboxamide

SMILES

CCn1nccc1C(NCc1c(COC(CC2)(CN2C(c2cccn2C)=O)C2)n2nn1)=O

InChI

InChI=1S/C21H26N8O3/c1-3-28-16(6-8-23-28)19(30)22-11-15-18-12-32-21(14-29(18)25-24-15)7-10-27(13-21)20(31)17-5-4-9-26(17)2/h4-6,8-9H,3,7,10-14H2,1-2H3,(H,22,30)/t21-/m0/s1

InChI Key

SABAODJLWVBRAE-NRFANRHFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.502

Distribution Coefficient, logD

0.502

Water Solubility, LogSw

-1.93

Polar Surface Area

90.949

Acid Dissociation Constant (pKa)

12.98

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.62

SD07-0899 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SD07-0899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD07-0899?
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What is the minimum amount of SD07-0899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD07-0899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD07-0899
  • 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 SD07-0899 available by request