C800-0464 Screening compound: N-(3,5-dimethylphenyl)-5-(2-fluorophenyl)-1,4,5,6-tetrahydroazepino[4,5-b]indole-3(2H)-carboxamide

C800-0464 Screening compound: N-(3,5-dimethylphenyl)-5-(2-fluorophenyl)-1,4,5,6-tetrahydroazepino[4,5-b]indole-3(2H)-carboxamide
C800-0464 Screening compound: N-(3,5-dimethylphenyl)-5-(2-fluorophenyl)-1,4,5,6-tetrahydroazepino[4,5-b]indole-3(2H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-0464
N-(3,5-dimethylphenyl)-5-(2-fluorophenyl)-1,4,5,6-tetrahydroazepino[4,5-b]indole-3(2H)-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

C800-0464

Molecular Formula

C27H26FN3O (C27 H26 FN3 O)

Compound Name

N-(3,5-dimethylphenyl)-5-(2-fluorophenyl)-1,4,5,6-tetrahydroazepino[4,5-b]indole-3(2H)-carboxamide

IUPAC name

N-(35-dimethylphenyl)-5-(2-fluorophenyl)-1H2H3H4H5H6H-azepino[45-b]indole-3-carboxamide

SMILES

Cc1cc(NC(N(CCc2c3[nH]c4c2cccc4)CC3c(cccc2)c2F)=O)cc(C)c1

InChI

InChI=1S/C27H26FN3O/c1-17-13-18(2)15-19(14-17)29-27(32)31-12-11-22-21-8-4-6-10-25(21)30-26(22)23(16-31)20-7-3-5-9-24(20)28/h3-10,13-15,23,30H,11-12,16H2,1-2H3,(H,29,32)/t23-/m1/s1

InChI Key

RHMASHDJKKKZRS-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14799735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.52

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.869

Distribution Coefficient, logD

5.869

Water Solubility, LogSw

-5.75

Polar Surface Area

35.639

Acid Dissociation Constant (pKa)

13.18

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.22

References: we are preparing a list of scientific research reports with C800-0464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-0464?
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What is the minimum amount of C800-0464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-0464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-0464
  • 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 C800-0464 available by request