SD07-0630 Screening compound: 1,1-diethyl-3-{[1-(phenylcarbonyl)-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}urea

SD07-0630 Screening compound: 1,1-diethyl-3-{[1-(phenylcarbonyl)-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}urea
SD07-0630 Screening compound: 1,1-diethyl-3-{[1-(phenylcarbonyl)-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 SD07-0630
1,1-diethyl-3-{[1-(phenylcarbonyl)-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

SD07-0630

Molecular Formula

C21H28N6O3 (C21 H28 N6 O3)

Compound Name

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

IUPAC name

1-({1'-benzoyl-47-dihydrospiro[[123]triazolo[43-c][14]oxazine-63'-pyrrolidin]-3-yl}methyl)-33-diethylurea

SMILES

CCN(CC)C(NCc1c(COC(CC2)(CN2C(c2ccccc2)=O)C2)n2nn1)=O

InChI

InChI=1S/C21H28N6O3/c1-3-25(4-2)20(29)22-12-17-18-13-30-21(15-27(18)24-23-17)10-11-26(14-21)19(28)16-8-6-5-7-9-16/h5-9H,3-4,10-15H2,1-2H3,(H,22,29)/t21-/m0/s1

InChI Key

WCKVIAJTISUYSK-NRFANRHFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.716

Distribution Coefficient, logD

0.716

Water Solubility, LogSw

-1.95

Polar Surface Area

77.105

Acid Dissociation Constant (pKa)

15.84

Base Dissociation Constant (pKb)

1.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.38

References: we are preparing a list of scientific research reports with SD07-0630 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD07-0630?
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What is the minimum amount of SD07-0630 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD07-0630
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD07-0630
  • 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 SD07-0630 available by request