8018-8017 Screening compound: N-{5-chloro-1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl}furan-2-carboxamide

8018-8017 Screening compound: N-{5-chloro-1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl}furan-2-carboxamide
8018-8017 Screening compound: N-{5-chloro-1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8017
N-{5-chloro-1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl}furan-2-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

8018-8017

Molecular Formula

C14H13ClN4O2 (C14 H13 ClN4 O2)

Compound Name

N-{5-chloro-1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl}furan-2-carboxamide

IUPAC name

N-{5-chloro-146-trimethyl-1H-pyrazolo[34-b]pyridin-3-yl}furan-2-carboxamide

SMILES

Cc1c(c(NC(c2ccco2)=O)nn2C)c2nc(C)c1Cl

InChI

InChI=1S/C14H13ClN4O2/c1-7-10-12(17-14(20)9-5-4-6-21-9)18-19(3)13(10)16-8(2)11(7)15/h4-6H,1-3H3,(H,17,18,20)

InChI Key

AWQOVOWVWKSMSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08532402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.74

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.408

Distribution Coefficient, logD

1.624

Water Solubility, LogSw

-3.54

Polar Surface Area

56.365

Acid Dissociation Constant (pKa)

6.69

Base Dissociation Constant (pKb)

1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

8018-8017 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with 8018-8017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8017?
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What is the minimum amount of 8018-8017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8017
  • 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 8018-8017 available by request