C304-0761 Screening compound: 2-chloro-N~8~-(3,4-diethoxyphenethyl)-11-ethyldibenzo[b,f][1,4]thiazepine-8-carboxamide

C304-0761 Screening compound: 2-chloro-N~8~-(3,4-diethoxyphenethyl)-11-ethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
C304-0761 Screening compound: 2-chloro-N~8~-(3,4-diethoxyphenethyl)-11-ethyldibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-0761
2-chloro-N~8~-(3,4-diethoxyphenethyl)-11-ethyldibenzo[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

C304-0761

Molecular Formula

C28H29ClN2O3S (C28 H29 ClN2 O3 S)

Compound Name

2-chloro-N~8~-(3,4-diethoxyphenethyl)-11-ethyldibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

13-chloro-N-[2-(34-diethoxyphenyl)ethyl]-10-ethyl-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)4691214-heptaene-6-carboxamide

SMILES

CCC1=Nc(cc(cc2)C(NCCc(cc3)cc(OCC)c3OCC)=O)c2Sc(cc2)c1cc2Cl

InChI

InChI=1S/C28H29ClN2O3S/c1-4-22-21-17-20(29)9-12-26(21)35-27-11-8-19(16-23(27)31-22)28(32)30-14-13-18-7-10-24(33-5-2)25(15-18)34-6-3/h7-12,15-17H,4-6,13-14H2,1-3H3,(H,30,32)

InChI Key

QWGLBTLMLYQBGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.07

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.788

Distribution Coefficient, logD

5.788

Water Solubility, LogSw

-5.83

Polar Surface Area

46.906

Acid Dissociation Constant (pKa)

13.06

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with C304-0761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-0761?
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What is the minimum amount of C304-0761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-0761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-0761
  • 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 C304-0761 available by request