C741-0638 Screening compound: 4-[(4-chlorophenyl)methyl]-1-{3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl}-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C741-0638 Screening compound: 4-[(4-chlorophenyl)methyl]-1-{3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl}-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
C741-0638 Screening compound: 4-[(4-chlorophenyl)methyl]-1-{3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl}-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C741-0638
4-[(4-chlorophenyl)methyl]-1-{3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl}-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-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

C741-0638

Molecular Formula

C31H31ClN6O2 (C31 H31 ClN6 O2)

Compound Name

4-[(4-chlorophenyl)methyl]-1-{3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl}-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

IUPAC name

4-[(4-chlorophenyl)methyl]-1-{3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl}-4H5H-[124]triazolo[43-a]quinazolin-5-one

SMILES

CC(CN(CC1)C(CCc(n2-c3c4cccc3)nnc2N(Cc(cc2)ccc2Cl)C4=O)=O)N1c1cc(C)ccc1

InChI

InChI=1S/C31H31ClN6O2/c1-21-6-5-7-25(18-21)36-17-16-35(19-22(36)2)29(39)15-14-28-33-34-31-37(20-23-10-12-24(32)13-11-23)30(40)26-8-3-4-9-27(26)38(28)31/h3-13,18,22H,14-17,19-20H2,1-2H3/t22-/m0/s1

InChI Key

WRKTYIMYPGDWFD-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14790829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.08

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.634

Distribution Coefficient, logD

4.633

Water Solubility, LogSw

-4.76

Polar Surface Area

58.577

Acid Dissociation Constant (pKa)

20.95

Base Dissociation Constant (pKb)

7.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.00

C741-0638 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C741-0638 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C741-0638?
Check Price and Availability of C741-0638, 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 C741-0638 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C741-0638
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C741-0638
  • 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 C741-0638 available by request