SD07-0848 Screening compound: N-({1-[(1-ethyl-1H-pyrazol-3-yl)carbonyl]-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)propane-1-sulfonamide

SD07-0848 Screening compound: N-({1-[(1-ethyl-1H-pyrazol-3-yl)carbonyl]-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)propane-1-sulfonamide
SD07-0848 Screening compound: N-({1-[(1-ethyl-1H-pyrazol-3-yl)carbonyl]-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)propane-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD07-0848
N-({1-[(1-ethyl-1H-pyrazol-3-yl)carbonyl]-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)propane-1-sulfonamide

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

SD07-0848

Molecular Formula

C18H27N7O4S (C18 H27 N7 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCCS(NCc1c(COC(CC2)(CN2C(c2nn(CC)cc2)=O)C2)n2nn1)(=O)=O

InChI

InChI=1S/C18H27N7O4S/c1-3-9-30(27,28)19-10-15-16-11-29-18(13-25(16)22-20-15)6-8-23(12-18)17(26)14-5-7-24(4-2)21-14/h5,7,19H,3-4,6,8-13H2,1-2H3/t18-/m0/s1

InChI Key

MRISMZDHZYRDJD-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-0.378

Distribution Coefficient, logD

-0.385

Water Solubility, LogSw

-2.13

Polar Surface Area

109.072

Acid Dissociation Constant (pKa)

9.13

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

References: we are preparing a list of scientific research reports with SD07-0848 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD07-0848?
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What is the minimum amount of SD07-0848 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD07-0848
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD07-0848
  • 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 SD07-0848 available by request