K788-0681 Screening compound: 11-ethyl-2-methyl-N~8~-[3-(methylanilino)propyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide

K788-0681 Screening compound: 11-ethyl-2-methyl-N~8~-[3-(methylanilino)propyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide
K788-0681 Screening compound: 11-ethyl-2-methyl-N~8~-[3-(methylanilino)propyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-0681
11-ethyl-2-methyl-N~8~-[3-(methylanilino)propyl]dibenzo[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

K788-0681

Molecular Formula

C27H29N3OS (C27 H29 N3 OS)

Compound Name

11-ethyl-2-methyl-N~8~-[3-(methylanilino)propyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

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

SMILES

CCC1=Nc(cc(cc2)C(NCCCN(C)c3ccccc3)=O)c2Sc2c1cc(C)cc2

InChI

InChI=1S/C27H29N3OS/c1-4-23-22-17-19(2)11-13-25(22)32-26-14-12-20(18-24(26)29-23)27(31)28-15-8-16-30(3)21-9-6-5-7-10-21/h5-7,9-14,17-18H,4,8,15-16H2,1-3H3,(H,28,31)

InChI Key

PPNWQAQBYKNVOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27225496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.420

Distribution Coefficient, logD

5.415

Water Solubility, LogSw

-5.22

Polar Surface Area

35.690

Acid Dissociation Constant (pKa)

13.62

Base Dissociation Constant (pKb)

8.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with K788-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-0681?
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What is the minimum amount of K788-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-0681
  • 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 K788-0681 available by request