Y021-2176 Screening compound: N-(1,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-4-nitrobenzamide

Y021-2176 Screening compound: N-(1,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-4-nitrobenzamide
Y021-2176 Screening compound: N-(1,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-2176
N-(1,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-4-nitrobenzamide

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

Y021-2176

Molecular Formula

C15H13N5O3 (C15 H13 N5 O3)

Compound Name

N-(1,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-4-nitrobenzamide

IUPAC name

N-{16-dimethyl-1H-pyrazolo[34-b]pyridin-3-yl}-4-nitrobenzamide

SMILES

Cc(cc1)nc2c1c(NC(c(cc1)ccc1[N+]([O-])=O)=O)nn2C

InChI

InChI=1S/C15H13N5O3/c1-9-3-8-12-13(18-19(2)14(12)16-9)17-15(21)10-4-6-11(7-5-10)20(22)23/h3-8H,1-2H3,(H,17,18,21)

InChI Key

BSZIKOTTXAPZPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29731093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.345

Distribution Coefficient, logD

2.095

Water Solubility, LogSw

-2.90

Polar Surface Area

80.398

Acid Dissociation Constant (pKa)

7.51

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

Y021-2176 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y021-2176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-2176?
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What is the minimum amount of Y021-2176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-2176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-2176
  • 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 Y021-2176 available by request