6364-0054 Screening compound: 11-(1H-indol-3-yl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

6364-0054 Screening compound: 11-(1H-indol-3-yl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
6364-0054 Screening compound: 11-(1H-indol-3-yl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6364-0054
11-(1H-indol-3-yl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

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

6364-0054

Molecular Formula

C25H27N3O (C25 H27 N3 O)

Compound Name

11-(1H-indol-3-yl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

10-(1H-indol-3-yl)-561414-tetramethyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

CC(C)(C1)CC(Nc(cc(C)c(C)c2)c2NC2c3c[nH]c4c3cccc4)=C2C1=O

InChI

InChI=1S/C25H27N3O/c1-14-9-19-20(10-15(14)2)28-24(17-13-26-18-8-6-5-7-16(17)18)23-21(27-19)11-25(3,4)12-22(23)29/h5-10,13,24,26-28H,11-12H2,1-4H3/t24-/m0/s1

InChI Key

JYYPWQUVQAUWPF-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD03445150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.51

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.194

Distribution Coefficient, logD

5.184

Water Solubility, LogSw

-5.29

Polar Surface Area

46.619

Acid Dissociation Constant (pKa)

9.07

Base Dissociation Constant (pKb)

11.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

6364-0054 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6364-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6364-0054?
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What is the minimum amount of 6364-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6364-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6364-0054
  • 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 6364-0054 available by request