G868-1441 Screening compound: 4-{2-[4-(5-bromo-2-ethoxybenzenesulfonyl)piperazin-1-yl]-6-methylpyrimidin-4-yl}morpholine

G868-1441 Screening compound: 4-{2-[4-(5-bromo-2-ethoxybenzenesulfonyl)piperazin-1-yl]-6-methylpyrimidin-4-yl}morpholine
G868-1441 Screening compound: 4-{2-[4-(5-bromo-2-ethoxybenzenesulfonyl)piperazin-1-yl]-6-methylpyrimidin-4-yl}morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound G868-1441
4-{2-[4-(5-bromo-2-ethoxybenzenesulfonyl)piperazin-1-yl]-6-methylpyrimidin-4-yl}morpholine

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

G868-1441

Molecular Formula

C21H28BrN5O4S (C21 H28 BrN5 O4 S)

Compound Name

4-{2-[4-(5-bromo-2-ethoxybenzenesulfonyl)piperazin-1-yl]-6-methylpyrimidin-4-yl}morpholine

IUPAC name

4-{2-[4-(5-bromo-2-ethoxybenzenesulfonyl)piperazin-1-yl]-6-methylpyrimidin-4-yl}morpholine

SMILES

CCOc(ccc(Br)c1)c1S(N(CC1)CCN1c1nc(N2CCOCC2)cc(C)n1)(=O)=O

InChI

InChI=1S/C21H28BrN5O4S/c1-3-31-18-5-4-17(22)15-19(18)32(28,29)27-8-6-26(7-9-27)21-23-16(2)14-20(24-21)25-10-12-30-13-11-25/h4-5,14-15H,3,6-13H2,1-2H3

InChI Key

BOSPIZLMIPPJJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08534102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.934

Distribution Coefficient, logD

3.859

Water Solubility, LogSw

-3.82

Polar Surface Area

70.549

Acid Dissociation Constant (pKa)

20.87

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

G868-1441 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

BRD4 Targeted Library (4534 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with G868-1441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G868-1441?
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What is the minimum amount of G868-1441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G868-1441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G868-1441
  • 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 G868-1441 available by request