K788-0663 Screening compound: N~8~-{3-[benzyl(butyl)amino]propyl}-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide

K788-0663 Screening compound: N~8~-{3-[benzyl(butyl)amino]propyl}-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
K788-0663 Screening compound: N~8~-{3-[benzyl(butyl)amino]propyl}-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-0663
N~8~-{3-[benzyl(butyl)amino]propyl}-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-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

K788-0663

Molecular Formula

C31H37N3OS (C31 H37 N3 OS)

Compound Name

N~8~-{3-[benzyl(butyl)amino]propyl}-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

N-{3-[benzyl(butyl)amino]propyl}-10-ethyl-13-methyl-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)4691113-heptaene-6-carboxamide

SMILES

CCCCN(CCCNC(c(cc1)cc2c1Sc(ccc(C)c1)c1C(CC)=N2)=O)Cc1ccccc1

InChI

InChI=1S/C31H37N3OS/c1-4-6-18-34(22-24-11-8-7-9-12-24)19-10-17-32-31(35)25-14-16-30-28(21-25)33-27(5-2)26-20-23(3)13-15-29(26)36-30/h7-9,11-16,20-21H,4-6,10,17-19,22H2,1-3H3,(H,32,35)

InChI Key

GMNUJKOZALKIQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03834258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.72

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.885

Distribution Coefficient, logD

5.322

Water Solubility, LogSw

-5.50

Polar Surface Area

36.426

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.50

References: we are preparing a list of scientific research reports with K788-0663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-0663?
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What is the minimum amount of K788-0663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-0663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-0663
  • 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 K788-0663 available by request