SD08-0501 Screening compound: N'-{[1-(4-methoxy-2-methylbenzoyl)-4'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-N,N-dimethylurea

SD08-0501 Screening compound: N'-{[1-(4-methoxy-2-methylbenzoyl)-4'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-N,N-dimethylurea
SD08-0501 Screening compound: N'-{[1-(4-methoxy-2-methylbenzoyl)-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 SD08-0501
N'-{[1-(4-methoxy-2-methylbenzoyl)-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

SD08-0501

Molecular Formula

C22H30N6O4 (C22 H30 N6 O4)

Compound Name

N'-{[1-(4-methoxy-2-methylbenzoyl)-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

Cc(cc(cc1)OC)c1C(N(CCC1)CC11OCc2c(CNC(N(C)C)=O)nnn2C1)=O

InChI

InChI=1S/C22H30N6O4/c1-15-10-16(31-4)6-7-17(15)20(29)27-9-5-8-22(13-27)14-28-19(12-32-22)18(24-25-28)11-23-21(30)26(2)3/h6-7,10H,5,8-9,11-14H2,1-4H3,(H,23,30)/t22-/m1/s1

InChI Key

YDHXJYATYDIZQM-JOCHJYFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.645

Distribution Coefficient, logD

0.645

Water Solubility, LogSw

-2.22

Polar Surface Area

84.351

Acid Dissociation Constant (pKa)

14.95

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.55

References: we are preparing a list of scientific research reports with SD08-0501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD08-0501?
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What is the minimum amount of SD08-0501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD08-0501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD08-0501
  • 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 SD08-0501 available by request