8016-9691 Screening compound: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N~1~-[3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]-N~1~-methylacetamide

8016-9691 Screening compound: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N~1~-[3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]-N~1~-methylacetamide
8016-9691 Screening compound: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N~1~-[3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]-N~1~-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9691
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N~1~-[3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]-N~1~-methylacetamide

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

8016-9691

Molecular Formula

C37H36ClN3O3 (C37 H36 ClN3 O3)

Compound Name

2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N~1~-[3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]-N~1~-methylacetamide

IUPAC name

N-(3-{2-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaen-2-yl}propyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-methylacetamide

SMILES

Cc1c(CC(N(C)CCCN(c2c(CC3)cccc2)c2c3cccc2)=O)c(cc(cc2)OC)c2n1C(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C37H36ClN3O3/c1-25-31(32-23-30(44-3)19-20-35(32)41(25)37(43)28-15-17-29(38)18-16-28)24-36(42)39(2)21-8-22-40-33-11-6-4-9-26(33)13-14-27-10-5-7-12-34(27)40/h4-7,9-12,15-20,23H,8,13-14,21-22,24H2,1-3H3

InChI Key

IWMBTQWXFUZNKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

606.16

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

8.334

Distribution Coefficient, logD

8.334

Water Solubility, LogSw

-6.37

Polar Surface Area

40.151

Acid Dissociation Constant (pKa)

17.41

Base Dissociation Constant (pKb)

3.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.32

8016-9691 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8016-9691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9691?
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What is the minimum amount of 8016-9691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9691
  • 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 8016-9691 available by request