G868-0894 Screening compound: 2-[4-(2-iodobenzoyl)piperazin-1-yl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine

G868-0894 Screening compound: 2-[4-(2-iodobenzoyl)piperazin-1-yl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
G868-0894 Screening compound: 2-[4-(2-iodobenzoyl)piperazin-1-yl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound G868-0894
2-[4-(2-iodobenzoyl)piperazin-1-yl]-4-methyl-6-(4-methylpiperazin-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

G868-0894

Molecular Formula

C21H27IN6O (C21 H27 IN6 O)

Compound Name

2-[4-(2-iodobenzoyl)piperazin-1-yl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine

IUPAC name

2-[4-(2-iodobenzoyl)piperazin-1-yl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine

SMILES

Cc1nc(N(CC2)CCN2C(c(cccc2)c2I)=O)nc(N2CCN(C)CC2)c1

InChI

InChI=1S/C21H27IN6O/c1-16-15-19(26-9-7-25(2)8-10-26)24-21(23-16)28-13-11-27(12-14-28)20(29)17-5-3-4-6-18(17)22/h3-6,15H,7-14H2,1-2H3

InChI Key

VINPWXCBFUHQLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09237983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.269

Distribution Coefficient, logD

2.699

Water Solubility, LogSw

-3.42

Polar Surface Area

43.844

Acid Dissociation Constant (pKa)

21.00

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

G868-0894 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 G868-0894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G868-0894?
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What is the minimum amount of G868-0894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G868-0894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G868-0894
  • 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 G868-0894 available by request