G217-1248 Screening compound: N-{4-[({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)methyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide

G217-1248 Screening compound: N-{4-[({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)methyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
G217-1248 Screening compound: N-{4-[({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)methyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G217-1248
N-{4-[({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)methyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide

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

G217-1248

Molecular Formula

C27H29N3O2S (C27 H29 N3 O2 S)

Compound Name

N-{4-[({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)methyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide

IUPAC name

N-{4-[({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)methyl]phenyl}-2345-tetrahydro-1H-1-benzazepine-1-carboxamide

SMILES

CSc1ccc(CNC(Cc(cc2)ccc2NC(N(CCCC2)c3c2cccc3)=O)=O)cc1

InChI

InChI=1S/C27H29N3O2S/c1-33-24-15-11-21(12-16-24)19-28-26(31)18-20-9-13-23(14-10-20)29-27(32)30-17-5-4-7-22-6-2-3-8-25(22)30/h2-3,6,8-16H,4-5,7,17-19H2,1H3,(H,28,31)(H,29,32)

InChI Key

VTBPVOGFZAMJFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14987556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.467

Distribution Coefficient, logD

5.467

Water Solubility, LogSw

-5.30

Polar Surface Area

48.903

Acid Dissociation Constant (pKa)

12.58

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

G217-1248 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G217-1248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G217-1248?
Check Price and Availability of G217-1248, 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 G217-1248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G217-1248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G217-1248
  • 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 G217-1248 available by request