G217-1081 Screening compound: N-(4-{[(3-ACETYLPHENYL)CARBAMOYL]METHYL}PHENYL)-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPINE-1-CARBOXAMIDE

G217-1081 Screening compound: N-(4-{[(3-ACETYLPHENYL)CARBAMOYL]METHYL}PHENYL)-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPINE-1-CARBOXAMIDE
G217-1081 Screening compound: N-(4-{[(3-ACETYLPHENYL)CARBAMOYL]METHYL}PHENYL)-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPINE-1-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound G217-1081
N-(4-{[(3-ACETYLPHENYL)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

G217-1081

Molecular Formula

C27H27N3O3 (C27 H27 N3 O3)

Compound Name

N-(4-{[(3-ACETYLPHENYL)CARBAMOYL]METHYL}PHENYL)-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPINE-1-CARBOXAMIDE

IUPAC name

n/a

SMILES

CC(c1cccc(NC(Cc(cc2)ccc2NC(N(CCCC2)c3c2cccc3)=O)=O)c1)=O

InChI

InChI=1S/C27H27N3O3/c1-19(31)22-9-6-10-24(18-22)28-26(32)17-20-12-14-23(15-13-20)29-27(33)30-16-5-4-8-21-7-2-3-11-25(21)30/h2-3,6-7,9-15,18H,4-5,8,16-17H2,1H3,(H,28,32)(H,29,33)

InChI Key

BKCHYCDMNUQEJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14987477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.826

Distribution Coefficient, logD

4.826

Water Solubility, LogSw

-4.46

Polar Surface Area

61.408

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

G217-1081 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Diversity Natural-Product-Like Library (18102 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D

References: we are preparing a list of scientific research reports with G217-1081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G217-1081?
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What is the minimum amount of G217-1081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G217-1081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G217-1081
  • 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 G217-1081 available by request