SD07-0346 Screening compound: 3-methyl-N-[(1-{[4-(propan-2-yl)phenyl]carbonyl}-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl)methyl]benzamide

SD07-0346 Screening compound: 3-methyl-N-[(1-{[4-(propan-2-yl)phenyl]carbonyl}-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl)methyl]benzamide
SD07-0346 Screening compound: 3-methyl-N-[(1-{[4-(propan-2-yl)phenyl]carbonyl}-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD07-0346
3-methyl-N-[(1-{[4-(propan-2-yl)phenyl]carbonyl}-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl)methyl]benzamide

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

SD07-0346

Molecular Formula

C27H31N5O3 (C27 H31 N5 O3)

Compound Name

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

IUPAC name

3-methyl-N-({1'-[4-(propan-2-yl)benzoyl]-47-dihydrospiro[[123]triazolo[43-c][14]oxazine-63'-pyrrolidin]-3-yl}methyl)benzamide

SMILES

CC(C)c(cc1)ccc1C(N(CC1)CC11OCc2c(CNC(c3cc(C)ccc3)=O)nnn2C1)=O

InChI

InChI=1S/C27H31N5O3/c1-18(2)20-7-9-21(10-8-20)26(34)31-12-11-27(16-31)17-32-24(15-35-27)23(29-30-32)14-28-25(33)22-6-4-5-19(3)13-22/h4-10,13,18H,11-12,14-17H2,1-3H3,(H,28,33)/t27-/m0/s1

InChI Key

PSFCLALNTLEPIF-MHZLTWQESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.315

Distribution Coefficient, logD

3.315

Water Solubility, LogSw

-3.44

Polar Surface Area

75.443

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.74

SD07-0346 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SD07-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD07-0346?
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What is the minimum amount of SD07-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD07-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD07-0346
  • 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 SD07-0346 available by request