SD07-0664 Screening compound: 1,1-diethyl-3-{[1-(pyrazin-2-ylcarbonyl)-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}urea

SD07-0664 Screening compound: 1,1-diethyl-3-{[1-(pyrazin-2-ylcarbonyl)-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}urea
SD07-0664 Screening compound: 1,1-diethyl-3-{[1-(pyrazin-2-ylcarbonyl)-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound SD07-0664
1,1-diethyl-3-{[1-(pyrazin-2-ylcarbonyl)-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}urea

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

SD07-0664

Molecular Formula

C19H26N8O3 (C19 H26 N8 O3)

Compound Name

1,1-diethyl-3-{[1-(pyrazin-2-ylcarbonyl)-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}urea

IUPAC name

33-diethyl-1-{[1'-(pyrazine-2-carbonyl)-47-dihydrospiro[[123]triazolo[43-c][14]oxazine-63'-pyrrolidin]-3-yl]methyl}urea

SMILES

CCN(CC)C(NCc1c(COC(CC2)(CN2C(c2nccnc2)=O)C2)n2nn1)=O

InChI

InChI=1S/C19H26N8O3/c1-3-25(4-2)18(29)22-10-14-16-11-30-19(13-27(16)24-23-14)5-8-26(12-19)17(28)15-9-20-6-7-21-15/h6-7,9H,3-5,8,10-13H2,1-2H3,(H,22,29)/t19-/m0/s1

InChI Key

LWGUFCSQDREQLZ-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-0.738

Distribution Coefficient, logD

-0.738

Water Solubility, LogSw

-1.33

Polar Surface Area

95.671

Acid Dissociation Constant (pKa)

15.84

Base Dissociation Constant (pKb)

1.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

SD07-0664 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 SD07-0664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD07-0664?
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What is the minimum amount of SD07-0664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD07-0664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD07-0664
  • 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 SD07-0664 available by request