C692-0627 Screening compound: 8-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C692-0627 Screening compound: 8-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C692-0627 Screening compound: 8-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C692-0627
8-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

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

C692-0627

Molecular Formula

C22H28N6O3 (C22 H28 N6 O3)

Compound Name

8-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)-2367-tetrahydro-1H-purine-26-dione

SMILES

CC(C(C)=O)n1c(C(NC(N2C)=O)=O)c2nc1CN1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C22H28N6O3/c1-15(16(2)29)28-18(23-20-19(28)21(30)24-22(31)25(20)3)14-27-11-9-26(10-12-27)13-17-7-5-4-6-8-17/h4-8,15H,9-14H2,1-3H3,(H,24,30,31)/t15-/m0/s1

InChI Key

DHCYRVOGPNWOPF-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD05898130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.016

Distribution Coefficient, logD

0.743

Water Solubility, LogSw

-2.03

Polar Surface Area

74.661

Acid Dissociation Constant (pKa)

9.61

Base Dissociation Constant (pKb)

7.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with C692-0627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C692-0627?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C692-0627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C692-0627
  • 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 C692-0627 available by request