SD07-0943 Screening compound: 1-ethyl-N-{[1-(3-methylbutyl)-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-1H-pyrazole-5-carboxamide

SD07-0943 Screening compound: 1-ethyl-N-{[1-(3-methylbutyl)-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-1H-pyrazole-5-carboxamide
SD07-0943 Screening compound: 1-ethyl-N-{[1-(3-methylbutyl)-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-1H-pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD07-0943
1-ethyl-N-{[1-(3-methylbutyl)-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-1H-pyrazole-5-carboxamide

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

SD07-0943

Molecular Formula

C20H31N7O2 (C20 H31 N7 O2)

Compound Name

1-ethyl-N-{[1-(3-methylbutyl)-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-1H-pyrazole-5-carboxamide

IUPAC name

1-ethyl-N-{[1'-(3-methylbutyl)-47-dihydrospiro[[123]triazolo[43-c][14]oxazine-63'-pyrrolidin]-3-yl]methyl}-1H-pyrazole-5-carboxamide

SMILES

CCn1nccc1C(NCc1c(COC2(CN(CCC(C)C)CC2)C2)n2nn1)=O

InChI

InChI=1S/C20H31N7O2/c1-4-26-17(5-8-22-26)19(28)21-11-16-18-12-29-20(14-27(18)24-23-16)7-10-25(13-20)9-6-15(2)3/h5,8,15H,4,6-7,9-14H2,1-3H3,(H,21,28)/t20-/m0/s1

InChI Key

FLHHZHJQEWGUPU-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.51

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

1.139

Distribution Coefficient, logD

-0.425

Water Solubility, LogSw

-2.16

Polar Surface Area

75.867

Acid Dissociation Constant (pKa)

12.98

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.00

SD07-0943 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 SD07-0943 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD07-0943?
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What is the minimum amount of SD07-0943 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD07-0943
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD07-0943
  • 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 SD07-0943 available by request