T040-0687 Screening compound: 3-[2-(diethylamino)pyridin-4-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one

T040-0687 Screening compound: 3-[2-(diethylamino)pyridin-4-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
T040-0687 Screening compound: 3-[2-(diethylamino)pyridin-4-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T040-0687
3-[2-(diethylamino)pyridin-4-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one

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

T040-0687

Molecular Formula

C23H32N4O2 (C23 H32 N4 O2)

Compound Name

3-[2-(diethylamino)pyridin-4-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one

IUPAC name

3-[2-(diethylamino)pyridin-4-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one

SMILES

CCN(CC)c1nccc(CCC(N(CC2)CCN2c(cc2)ccc2OC)=O)c1

InChI

InChI=1S/C23H32N4O2/c1-4-25(5-2)22-18-19(12-13-24-22)6-11-23(28)27-16-14-26(15-17-27)20-7-9-21(29-3)10-8-20/h7-10,12-13,18H,4-6,11,14-17H2,1-3H3

InChI Key

LLVGCMXLVBPJHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.53

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

3.623

Distribution Coefficient, logD

3.403

Water Solubility, LogSw

-3.76

Polar Surface Area

38.411

Acid Dissociation Constant (pKa)

23.39

Base Dissociation Constant (pKb)

7.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

T040-0687 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 T040-0687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T040-0687?
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What is the minimum amount of T040-0687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T040-0687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T040-0687
  • 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 T040-0687 available by request