SD07-0414 Screening compound: N-({1-[(3-fluoropyridin-4-yl)methyl]-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)tetrahydro-2H-pyran-4-carboxamide

SD07-0414 Screening compound: N-({1-[(3-fluoropyridin-4-yl)methyl]-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)tetrahydro-2H-pyran-4-carboxamide
SD07-0414 Screening compound: N-({1-[(3-fluoropyridin-4-yl)methyl]-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)tetrahydro-2H-pyran-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD07-0414
N-({1-[(3-fluoropyridin-4-yl)methyl]-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)tetrahydro-2H-pyran-4-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

SD07-0414

Molecular Formula

C21H27FN6O3 (C21 H27 FN6 O3)

Compound Name

N-({1-[(3-fluoropyridin-4-yl)methyl]-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)tetrahydro-2H-pyran-4-carboxamide

IUPAC name

N-({1'-[(3-fluoropyridin-4-yl)methyl]-47-dihydrospiro[[123]triazolo[43-c][14]oxazine-63'-pyrrolidin]-3-yl}methyl)oxane-4-carboxamide

SMILES

O=C(C1CCOCC1)NCc1c(COC2(CN(Cc(ccnc3)c3F)CC2)C2)n2nn1

InChI

InChI=1S/C21H27FN6O3/c22-17-9-23-5-1-16(17)11-27-6-4-21(13-27)14-28-19(12-31-21)18(25-26-28)10-24-20(29)15-2-7-30-8-3-15/h1,5,9,15H,2-4,6-8,10-14H2,(H,24,29)/t21-/m0/s1

InChI Key

PEFFTYYNLAUEBB-NRFANRHFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.194

Distribution Coefficient, logD

0.149

Water Solubility, LogSw

-1.20

Polar Surface Area

80.146

Acid Dissociation Constant (pKa)

13.90

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

SD07-0414 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 SD07-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD07-0414?
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What is the minimum amount of SD07-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD07-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD07-0414
  • 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 SD07-0414 available by request