1307-0007 Screening compound: 2-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-hydroxybutan-2-yl)-1H-1,2,3-triazol-4-yl]butan-2-ol

1307-0007 Screening compound: 2-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-hydroxybutan-2-yl)-1H-1,2,3-triazol-4-yl]butan-2-ol
1307-0007 Screening compound: 2-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-hydroxybutan-2-yl)-1H-1,2,3-triazol-4-yl]butan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1307-0007
2-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-hydroxybutan-2-yl)-1H-1,2,3-triazol-4-yl]butan-2-ol

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

1307-0007

Molecular Formula

C12H20N6O3 (C12 H20 N6 O3)

Compound Name

2-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-hydroxybutan-2-yl)-1H-1,2,3-triazol-4-yl]butan-2-ol

IUPAC name

2-[1-(4-amino-125-oxadiazol-3-yl)-5-(2-hydroxybutan-2-yl)-1H-123-triazol-4-yl]butan-2-ol

SMILES

CCC(C)(c1c(C(C)(CC)O)nnn1-c1nonc1N)O

InChI

InChI=1S/C12H20N6O3/c1-5-11(3,19)7-8(12(4,20)6-2)18(17-14-7)10-9(13)15-21-16-10/h19-20H,5-6H2,1-4H3,(H2,13,15)

InChI Key

PYZJFRNVKPZAAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00558781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.253

Distribution Coefficient, logD

1.253

Water Solubility, LogSw

-0.71

Polar Surface Area

114.081

Acid Dissociation Constant (pKa)

15.16

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.70

1307-0007 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1307-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1307-0007?
Check Price and Availability of 1307-0007, 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 1307-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1307-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1307-0007
  • 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 1307-0007 available by request