G290-1002 Screening compound: 6-{3-[4-(3-methoxyphenyl)piperazino]-3-oxopropyl}pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one

G290-1002 Screening compound: 6-{3-[4-(3-methoxyphenyl)piperazino]-3-oxopropyl}pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one
G290-1002 Screening compound: 6-{3-[4-(3-methoxyphenyl)piperazino]-3-oxopropyl}pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G290-1002
6-{3-[4-(3-methoxyphenyl)piperazino]-3-oxopropyl}pyrido[2,3-b][1,5]benzothiazepin-5(6H)-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

G290-1002

Molecular Formula

C26H26N4O3S (C26 H26 N4 O3 S)

Compound Name

6-{3-[4-(3-methoxyphenyl)piperazino]-3-oxopropyl}pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one

IUPAC name

10-{3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-2-thia-410-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaen-9-one

SMILES

COc1cccc(N(CC2)CCN2C(CCN(c(cccc2)c2Sc2ncccc22)C2=O)=O)c1

InChI

InChI=1S/C26H26N4O3S/c1-33-20-7-4-6-19(18-20)28-14-16-29(17-15-28)24(31)11-13-30-22-9-2-3-10-23(22)34-25-21(26(30)32)8-5-12-27-25/h2-10,12,18H,11,13-17H2,1H3

InChI Key

NOYLNPZOKUAGPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14995279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.652

Distribution Coefficient, logD

3.652

Water Solubility, LogSw

-3.95

Polar Surface Area

53.628

Acid Dissociation Constant (pKa)

23.47

Base Dissociation Constant (pKb)

3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

G290-1002 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G290-1002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G290-1002?
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What is the minimum amount of G290-1002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G290-1002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G290-1002
  • 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 G290-1002 available by request