SD08-0534 Screening compound: N'-{[1-(2,5-difluorobenzoyl)-4'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-N,N-dimethylurea

SD08-0534 Screening compound: N'-{[1-(2,5-difluorobenzoyl)-4'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-N,N-dimethylurea
SD08-0534 Screening compound: N'-{[1-(2,5-difluorobenzoyl)-4'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-N,N-dimethylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound SD08-0534
N'-{[1-(2,5-difluorobenzoyl)-4'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-N,N-dimethylurea

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

SD08-0534

Molecular Formula

C20H24F2N6O3 (C20 H24 F2 N6 O3)

Compound Name

N'-{[1-(2,5-difluorobenzoyl)-4'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-N,N-dimethylurea

IUPAC name

n/a

SMILES

CN(C)C(NCc1c(COC(CCC2)(C3)CN2C(c(cc(cc2)F)c2F)=O)n3nn1)=O

InChI

InChI=1S/C20H24F2N6O3/c1-26(2)19(30)23-9-16-17-10-31-20(12-28(17)25-24-16)6-3-7-27(11-20)18(29)14-8-13(21)4-5-15(14)22/h4-5,8H,3,6-7,9-12H2,1-2H3,(H,23,30)/t20-/m1/s1

InChI Key

UXQRYVJTBGQVPA-HXUWFJFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.45

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

0.548

Distribution Coefficient, logD

0.548

Water Solubility, LogSw

-2.27

Polar Surface Area

76.808

Acid Dissociation Constant (pKa)

14.95

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with SD08-0534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD08-0534?
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What is the minimum amount of SD08-0534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD08-0534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD08-0534
  • 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 SD08-0534 available by request