3277-0083 Screening compound: N5,N6-bis(adamantan-2-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

3277-0083 Screening compound: N5,N6-bis(adamantan-2-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
3277-0083 Screening compound: N5,N6-bis(adamantan-2-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3277-0083
N5,N6-bis(adamantan-2-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

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

3277-0083

Molecular Formula

C24H32N6O (C24 H32 N6 O)

Compound Name

N5,N6-bis(adamantan-2-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

IUPAC name

N5N6-bis(adamantan-2-yl)-[125]oxadiazolo[34-b]pyrazine-56-diamine

SMILES

C(C(CC1C2)C3)C2CC3C1Nc1nc2nonc2nc1NC1C2CC(C3)CC1CC3C2

InChI

InChI=1S/C24H32N6O/c1-11-3-15-5-12(1)6-16(4-11)19(15)25-21-22(28-24-23(27-21)29-31-30-24)26-20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2,(H,25,27,29)(H,26,28,30)

InChI Key

SQHXWUWLIYVVLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02642159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.729

Distribution Coefficient, logD

6.729

Water Solubility, LogSw

-6.11

Polar Surface Area

77.884

Acid Dissociation Constant (pKa)

16.28

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

83.30

3277-0083 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3277-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3277-0083?
Check Price and Availability of 3277-0083, 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 3277-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3277-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3277-0083
  • 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 3277-0083 available by request