C561-2187 Screening compound: 3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}-N-[3-(diethylamino)propyl]propanamide

C561-2187 Screening compound: 3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}-N-[3-(diethylamino)propyl]propanamide
C561-2187 Screening compound: 3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}-N-[3-(diethylamino)propyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2187
3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}-N-[3-(diethylamino)propyl]propanamide

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

C561-2187

Molecular Formula

C23H39N5O (C23 H39 N5 O)

Compound Name

3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}-N-[3-(diethylamino)propyl]propanamide

IUPAC name

3-{1-tert-butyl-346-trimethyl-1H-pyrazolo[34-b]pyridin-5-yl}-N-[3-(diethylamino)propyl]propanamide

SMILES

CCN(CC)CCCNC(CCc1c(C)nc2n(C(C)(C)C)nc(C)c2c1C)=O

InChI

InChI=1S/C23H39N5O/c1-9-27(10-2)15-11-14-24-20(29)13-12-19-16(3)21-18(5)26-28(23(6,7)8)22(21)25-17(19)4/h9-15H2,1-8H3,(H,24,29)

InChI Key

ZQSDSNZCOPMQNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.862

Distribution Coefficient, logD

0.083

Water Solubility, LogSw

-3.09

Polar Surface Area

52.902

Acid Dissociation Constant (pKa)

15.25

Base Dissociation Constant (pKb)

10.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.60

References: we are preparing a list of scientific research reports with C561-2187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2187?
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What is the minimum amount of C561-2187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2187
  • 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 C561-2187 available by request