SD07-0351 Screening compound: N-({1-[(3-fluoro-4-methoxyphenyl)carbonyl]-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)-3-methylbenzamide

SD07-0351 Screening compound: N-({1-[(3-fluoro-4-methoxyphenyl)carbonyl]-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)-3-methylbenzamide
SD07-0351 Screening compound: N-({1-[(3-fluoro-4-methoxyphenyl)carbonyl]-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD07-0351
N-({1-[(3-fluoro-4-methoxyphenyl)carbonyl]-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)-3-methylbenzamide

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

SD07-0351

Molecular Formula

C25H26FN5O4 (C25 H26 FN5 O4)

Compound Name

N-({1-[(3-fluoro-4-methoxyphenyl)carbonyl]-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)-3-methylbenzamide

IUPAC name

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

SMILES

Cc1cccc(C(NCc2c(COC(CC3)(CN3C(c(cc3)cc(F)c3OC)=O)C3)n3nn2)=O)c1

InChI

InChI=1S/C25H26FN5O4/c1-16-4-3-5-17(10-16)23(32)27-12-20-21-13-35-25(15-31(21)29-28-20)8-9-30(14-25)24(33)18-6-7-22(34-2)19(26)11-18/h3-7,10-11H,8-9,12-15H2,1-2H3,(H,27,32)/t25-/m0/s1

InChI Key

MBIKWHVZOOEYAW-VWLOTQADSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.004

Distribution Coefficient, logD

2.004

Water Solubility, LogSw

-2.60

Polar Surface Area

83.074

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

SD07-0351 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 SD07-0351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD07-0351?
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What is the minimum amount of SD07-0351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD07-0351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD07-0351
  • 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 SD07-0351 available by request