SA64-1082 Screening compound: N~2~-{[9-(5-pyrimidinylcarbonyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]methyl}-2-pyridinecarboxamide

SA64-1082 Screening compound: N~2~-{[9-(5-pyrimidinylcarbonyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]methyl}-2-pyridinecarboxamide
SA64-1082 Screening compound: N~2~-{[9-(5-pyrimidinylcarbonyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]methyl}-2-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA64-1082
N~2~-{[9-(5-pyrimidinylcarbonyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]methyl}-2-pyridinecarboxamide

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

SA64-1082

Molecular Formula

C21H25N5O3 (C21 H25 N5 O3)

Compound Name

N~2~-{[9-(5-pyrimidinylcarbonyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]methyl}-2-pyridinecarboxamide

IUPAC name

N-{[9-(pyrimidine-5-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methyl}pyridine-2-carboxamide

SMILES

O=C(c1ncccc1)NCC1CC(CC2)(CCN2C(c2cncnc2)=O)OCC1

InChI

InChI=1S/C21H25N5O3/c27-19(18-3-1-2-7-24-18)25-12-16-4-10-29-21(11-16)5-8-26(9-6-21)20(28)17-13-22-15-23-14-17/h1-3,7,13-16H,4-6,8-12H2,(H,25,27)/t16-/m1/s1

InChI Key

DHVUPOARPSGELZ-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD32239266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.045

Distribution Coefficient, logD

-0.045

Water Solubility, LogSw

-1.20

Polar Surface Area

77.700

Acid Dissociation Constant (pKa)

13.14

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.62

SA64-1082 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA64-1082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA64-1082?
Check Price and Availability of SA64-1082, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SA64-1082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA64-1082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA64-1082
  • 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 SA64-1082 available by request