T040-0811 Screening compound: 3-[2-(DIETHYLAMINO)-4-PYRIDYL]-N-[(1,3-DIMETHYL-1H-PYRAZOL-4-YL)METHYL]-N-METHYLPROPANAMIDE

T040-0811 Screening compound: 3-[2-(DIETHYLAMINO)-4-PYRIDYL]-N-[(1,3-DIMETHYL-1H-PYRAZOL-4-YL)METHYL]-N-METHYLPROPANAMIDE
T040-0811 Screening compound: 3-[2-(DIETHYLAMINO)-4-PYRIDYL]-N-[(1,3-DIMETHYL-1H-PYRAZOL-4-YL)METHYL]-N-METHYLPROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound T040-0811
3-[2-(DIETHYLAMINO)-4-PYRIDYL]-N-[(1,3-DIMETHYL-1H-PYRAZOL-4-YL)METHYL]-N-METHYLPROPANAMIDE

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

T040-0811

Molecular Formula

C19H29N5O (C19 H29 N5 O)

Compound Name

3-[2-(DIETHYLAMINO)-4-PYRIDYL]-N-[(1,3-DIMETHYL-1H-PYRAZOL-4-YL)METHYL]-N-METHYLPROPANAMIDE

IUPAC name

3-[2-(diethylamino)pyridin-4-yl]-N-[(13-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylpropanamide

SMILES

CCN(CC)c1nccc(CCC(N(C)Cc2cn(C)nc2C)=O)c1

InChI

InChI=1S/C19H29N5O/c1-6-24(7-2)18-12-16(10-11-20-18)8-9-19(25)22(4)13-17-14-23(5)21-15(17)3/h10-12,14H,6-9,13H2,1-5H3

InChI Key

BMWCHXHAJSAXSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.147

Distribution Coefficient, logD

1.927

Water Solubility, LogSw

-2.43

Polar Surface Area

42.271

Acid Dissociation Constant (pKa)

22.23

Base Dissociation Constant (pKb)

7.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.63

T040-0811 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 T040-0811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T040-0811?
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What is the minimum amount of T040-0811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T040-0811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T040-0811
  • 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 T040-0811 available by request