8018-7791 Screening compound: ({5-chloro-1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl}carbamoyl)methyl acetate

8018-7791 Screening compound: ({5-chloro-1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl}carbamoyl)methyl acetate
8018-7791 Screening compound: ({5-chloro-1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl}carbamoyl)methyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7791
({5-chloro-1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl}carbamoyl)methyl acetate

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

8018-7791

Molecular Formula

C13H15ClN4O3 (C13 H15 ClN4 O3)

Compound Name

({5-chloro-1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl}carbamoyl)methyl acetate

IUPAC name

({5-chloro-146-trimethyl-1H-pyrazolo[34-b]pyridin-3-yl}carbamoyl)methyl acetate

SMILES

CC(OCC(Nc(c1c2C)nn(C)c1nc(C)c2Cl)=O)=O

InChI

InChI=1S/C13H15ClN4O3/c1-6-10-12(16-9(20)5-21-8(3)19)17-18(4)13(10)15-7(2)11(6)14/h5H2,1-4H3,(H,16,17,20)

InChI Key

CNHUTAKCYVEMQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08532240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.74

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.645

Distribution Coefficient, logD

1.495

Water Solubility, LogSw

-2.83

Polar Surface Area

69.075

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.46

8018-7791 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-7791 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7791?
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What is the minimum amount of 8018-7791 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7791
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7791
  • 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 8018-7791 available by request