D068-0031 Screening compound: 1-(sec-butyl)-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-ol

D068-0031 Screening compound: 1-(sec-butyl)-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-ol
D068-0031 Screening compound: 1-(sec-butyl)-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D068-0031
1-(sec-butyl)-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-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

D068-0031

Molecular Formula

C12H17N3O (C12 H17 N3 O)

Compound Name

1-(sec-butyl)-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-ol

IUPAC name

1-(butan-2-yl)-46-dimethyl-1H-pyrazolo[34-b]pyridin-3-ol

SMILES

CCC(C)n(c1nc(C)cc(C)c11)nc1O

InChI

InChI=1S/C12H17N3O/c1-5-9(4)15-11-10(12(16)14-15)7(2)6-8(3)13-11/h6,9H,5H2,1-4H3,(H,14,16)/t9-/m0/s1

InChI Key

BBGUJTVOVKTZKP-VIFPVBQESA-N

MDL Number (MFCD)

MFCD03289123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

219.29

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.242

Distribution Coefficient, logD

1.700

Water Solubility, LogSw

-1.65

Polar Surface Area

40.012

Acid Dissociation Constant (pKa)

7.00

Base Dissociation Constant (pKb)

4.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

D068-0031 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Fragments Library (11262 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with D068-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D068-0031?
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What is the minimum amount of D068-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D068-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D068-0031
  • 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 D068-0031 available by request