SD07-0317 Screening compound: 3-methyl-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)benzamide

SD07-0317 Screening compound: 3-methyl-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)benzamide
SD07-0317 Screening compound: 3-methyl-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)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD07-0317
3-methyl-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)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

SD07-0317

Molecular Formula

C23H26N6O3 (C23 H26 N6 O3)

Compound Name

3-methyl-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)benzamide

IUPAC name

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

SMILES

Cc1cccc(C(NCc2c(COC(CC3)(CN3C(c3cccn3C)=O)C3)n3nn2)=O)c1

InChI

InChI=1S/C23H26N6O3/c1-16-5-3-6-17(11-16)21(30)24-12-18-20-13-32-23(15-29(20)26-25-18)8-10-28(14-23)22(31)19-7-4-9-27(19)2/h3-7,9,11H,8,10,12-15H2,1-2H3,(H,24,30)/t23-/m0/s1

InChI Key

NADKFUVGENJZPQ-QHCPKHFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.035

Distribution Coefficient, logD

2.035

Water Solubility, LogSw

-2.61

Polar Surface Area

77.860

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.13

SD07-0317 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 SD07-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD07-0317?
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What is the minimum amount of SD07-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD07-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD07-0317
  • 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 SD07-0317 available by request