C304-4771 Screening compound: [4-(2-fluorophenyl)piperazino](11-propyldibenzo[b,f][1,4]thiazepin-8-yl)methanone

C304-4771 Screening compound: [4-(2-fluorophenyl)piperazino](11-propyldibenzo[b,f][1,4]thiazepin-8-yl)methanone
C304-4771 Screening compound: [4-(2-fluorophenyl)piperazino](11-propyldibenzo[b,f][1,4]thiazepin-8-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-4771
[4-(2-fluorophenyl)piperazino](11-propyldibenzo[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

C304-4771

Molecular Formula

C27H26FN3OS (C27 H26 FN3 OS)

Compound Name

[4-(2-fluorophenyl)piperazino](11-propyldibenzo[b,f][1,4]thiazepin-8-yl)methanone

IUPAC name

6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-10-propyl-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)4691214-heptaene

SMILES

CCCC1=Nc(cc(cc2)C(N(CC3)CCN3c(cccc3)c3F)=O)c2Sc2c1cccc2

InChI

InChI=1S/C27H26FN3OS/c1-2-7-22-20-8-3-6-11-25(20)33-26-13-12-19(18-23(26)29-22)27(32)31-16-14-30(15-17-31)24-10-5-4-9-21(24)28/h3-6,8-13,18H,2,7,14-17H2,1H3

InChI Key

YTJWWNZLIKFIDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.686

Distribution Coefficient, logD

5.685

Water Solubility, LogSw

-5.43

Polar Surface Area

27.838

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

4.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

C304-4771 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C304-4771 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-4771?
Check Price and Availability of C304-4771, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C304-4771 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-4771
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-4771
  • 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 C304-4771 available by request