D573-0077 Screening compound: 4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-6-methyl-2-(pyrrolidin-1-yl)pyrimidine

D573-0077 Screening compound: 4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-6-methyl-2-(pyrrolidin-1-yl)pyrimidine
D573-0077 Screening compound: 4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-6-methyl-2-(pyrrolidin-1-yl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D573-0077
4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-6-methyl-2-(pyrrolidin-1-yl)pyrimidine

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

D573-0077

Molecular Formula

C24H33N5O (C24 H33 N5 O)

Compound Name

4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-6-methyl-2-(pyrrolidin-1-yl)pyrimidine

IUPAC name

4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-6-methyl-2-(pyrrolidin-1-yl)pyrimidine

SMILES

CC(C)(C)c(cc1)ccc1C(N(CC1)CCN1c1nc(N2CCCC2)nc(C)c1)=O

InChI

InChI=1S/C24H33N5O/c1-18-17-21(26-23(25-18)29-11-5-6-12-29)27-13-15-28(16-14-27)22(30)19-7-9-20(10-8-19)24(2,3)4/h7-10,17H,5-6,11-16H2,1-4H3

InChI Key

QJZSBJRVAIZDFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19028501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.334

Distribution Coefficient, logD

5.323

Water Solubility, LogSw

-5.32

Polar Surface Area

40.734

Acid Dissociation Constant (pKa)

19.71

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.20

D573-0077 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D573-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D573-0077?
Check Price and Availability of D573-0077, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D573-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D573-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D573-0077
  • 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 D573-0077 available by request