G017-1102 Screening compound: 3-methyl-N-[(4-methylphenyl)methyl]-2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamido)butanamide

G017-1102 Screening compound: 3-methyl-N-[(4-methylphenyl)methyl]-2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamido)butanamide
G017-1102 Screening compound: 3-methyl-N-[(4-methylphenyl)methyl]-2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamido)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G017-1102
3-methyl-N-[(4-methylphenyl)methyl]-2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamido)butanamide

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

G017-1102

Molecular Formula

C23H29N3O4S (C23 H29 N3 O4 S)

Compound Name

3-methyl-N-[(4-methylphenyl)methyl]-2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamido)butanamide

IUPAC name

3-methyl-N-[(4-methylphenyl)methyl]-2-(2-oxo-2345-tetrahydro-1H-1-benzazepine-7-sulfonamido)butanamide

SMILES

CC(C)C(C(NCc1ccc(C)cc1)=O)NS(c(cc1)cc(CCC2)c1NC2=O)(=O)=O

InChI

InChI=1S/C23H29N3O4S/c1-15(2)22(23(28)24-14-17-9-7-16(3)8-10-17)26-31(29,30)19-11-12-20-18(13-19)5-4-6-21(27)25-20/h7-13,15,22,26H,4-6,14H2,1-3H3,(H,24,28)(H,25,27)/t22-/m0/s1

InChI Key

KJDFBWHRHKCDQP-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14977265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.614

Distribution Coefficient, logD

2.614

Water Solubility, LogSw

-3.18

Polar Surface Area

91.399

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

-2.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

G017-1102 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Endocrine
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G017-1102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G017-1102?
Check Price and Availability of G017-1102, 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 G017-1102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G017-1102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G017-1102
  • 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 G017-1102 available by request