8010-9460 Screening compound: N~1~-(5-acetyl-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)-3,4,5-trimethoxybenzamide

8010-9460 Screening compound: N~1~-(5-acetyl-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)-3,4,5-trimethoxybenzamide
8010-9460 Screening compound: N~1~-(5-acetyl-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-9460
N~1~-(5-acetyl-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)-3,4,5-trimethoxybenzamide

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

8010-9460

Molecular Formula

C26H26N2O5 (C26 H26 N2 O5)

Compound Name

N~1~-(5-acetyl-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)-3,4,5-trimethoxybenzamide

IUPAC name

N-{2-acetyl-2-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-5-yl}-345-trimethoxybenzamide

SMILES

CC(N(c1c(CC2)cccc1)c1c2ccc(NC(c(cc2OC)cc(OC)c2OC)=O)c1)=O

InChI

InChI=1S/C26H26N2O5/c1-16(29)28-21-8-6-5-7-17(21)9-10-18-11-12-20(15-22(18)28)27-26(30)19-13-23(31-2)25(33-4)24(14-19)32-3/h5-8,11-15H,9-10H2,1-4H3,(H,27,30)

InChI Key

PGKASUVJYARXEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02647408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.456

Distribution Coefficient, logD

4.456

Water Solubility, LogSw

-4.29

Polar Surface Area

61.009

Acid Dissociation Constant (pKa)

13.69

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

8010-9460 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-9460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-9460?
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What is the minimum amount of 8010-9460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-9460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-9460
  • 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 8010-9460 available by request