C700-0905 Screening compound: 3,4-dihydro-2(1H)-isoquinolinyl(1,4,11-trimethyldibenzo[b,f][1,4]thiazepin-8-yl)methanone

C700-0905 Screening compound: 3,4-dihydro-2(1H)-isoquinolinyl(1,4,11-trimethyldibenzo[b,f][1,4]thiazepin-8-yl)methanone
C700-0905 Screening compound: 3,4-dihydro-2(1H)-isoquinolinyl(1,4,11-trimethyldibenzo[b,f][1,4]thiazepin-8-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-0905
3,4-dihydro-2(1H)-isoquinolinyl(1,4,11-trimethyldibenzo[b,f][1,4]thiazepin-8-yl)methanone

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

C700-0905

Molecular Formula

C26H24N2OS (C26 H24 N2 OS)

Compound Name

3,4-dihydro-2(1H)-isoquinolinyl(1,4,11-trimethyldibenzo[b,f][1,4]thiazepin-8-yl)methanone

IUPAC name

101215-trimethyl-6-(1234-tetrahydroisoquinoline-2-carbonyl)-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)4691214-heptaene

SMILES

Cc1ccc(C)c2c1C(C)=Nc(cc(cc1)C(N(CC3)Cc4c3cccc4)=O)c1S2

InChI

InChI=1S/C26H24N2OS/c1-16-8-9-17(2)25-24(16)18(3)27-22-14-20(10-11-23(22)30-25)26(29)28-13-12-19-6-4-5-7-21(19)15-28/h4-11,14H,12-13,15H2,1-3H3

InChI Key

BWHJCMZSLMRTMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26965605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.525

Distribution Coefficient, logD

5.523

Water Solubility, LogSw

-5.47

Polar Surface Area

23.810

Acid Dissociation Constant (pKa)

23.81

Base Dissociation Constant (pKb)

5.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with C700-0905 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0905?
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What is the minimum amount of C700-0905 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0905
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0905
  • 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 C700-0905 available by request