SD07-0570 Screening compound: 1-propyl-3-{[1-(thiophen-3-ylacetyl)-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}urea

SD07-0570 Screening compound: 1-propyl-3-{[1-(thiophen-3-ylacetyl)-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}urea
SD07-0570 Screening compound: 1-propyl-3-{[1-(thiophen-3-ylacetyl)-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 SD07-0570
1-propyl-3-{[1-(thiophen-3-ylacetyl)-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

SD07-0570

Molecular Formula

C19H26N6O3S (C19 H26 N6 O3 S)

Compound Name

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

IUPAC name

3-propyl-1-({1'-[2-(thiophen-3-yl)acetyl]-47-dihydrospiro[[123]triazolo[43-c][14]oxazine-63'-pyrrolidin]-3-yl}methyl)urea

SMILES

CCCNC(NCc1c(COC(CC2)(CN2C(Cc2cscc2)=O)C2)n2nn1)=O

InChI

InChI=1S/C19H26N6O3S/c1-2-5-20-18(27)21-9-15-16-10-28-19(13-25(16)23-22-15)4-6-24(12-19)17(26)8-14-3-7-29-11-14/h3,7,11H,2,4-6,8-10,12-13H2,1H3,(H2,20,21,27)/t19-/m0/s1

InChI Key

GRKGFWRNJCSNJQ-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.586

Distribution Coefficient, logD

0.586

Water Solubility, LogSw

-2.14

Polar Surface Area

86.581

Acid Dissociation Constant (pKa)

15.64

Base Dissociation Constant (pKb)

1.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

SD07-0570 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 SD07-0570 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD07-0570?
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What is the minimum amount of SD07-0570 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD07-0570
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD07-0570
  • 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 SD07-0570 available by request