SD07-0540 Screening compound: 1-{[1-(phenylsulfonyl)-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-3-propylurea

SD07-0540 Screening compound: 1-{[1-(phenylsulfonyl)-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-3-propylurea
SD07-0540 Screening compound: 1-{[1-(phenylsulfonyl)-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-3-propylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound SD07-0540
1-{[1-(phenylsulfonyl)-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-3-propylurea

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

SD07-0540

Molecular Formula

C19H26N6O4S (C19 H26 N6 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCCNC(NCc1c(COC(CC2)(CN2S(c2ccccc2)(=O)=O)C2)n2nn1)=O

InChI

InChI=1S/C19H26N6O4S/c1-2-9-20-18(26)21-11-16-17-12-29-19(14-25(17)23-22-16)8-10-24(13-19)30(27,28)15-6-4-3-5-7-15/h3-7H,2,8-14H2,1H3,(H2,20,21,26)/t19-/m0/s1

InChI Key

AKYDLFGTQDCBSQ-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.590

Distribution Coefficient, logD

0.590

Water Solubility, LogSw

-2.32

Polar Surface Area

101.153

Acid Dissociation Constant (pKa)

15.64

Base Dissociation Constant (pKb)

1.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.63

SD07-0540 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 SD07-0540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD07-0540?
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What is the minimum amount of SD07-0540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD07-0540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD07-0540
  • 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 SD07-0540 available by request