4473-0226 Screening compound: N-[3-(4-BENZYLPIPERAZINE-1-CARBONYL)-6-TERT-BUTYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL]-2-METHYLBENZAMIDE

4473-0226 Screening compound: N-[3-(4-BENZYLPIPERAZINE-1-CARBONYL)-6-TERT-BUTYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL]-2-METHYLBENZAMIDE
4473-0226 Screening compound: N-[3-(4-BENZYLPIPERAZINE-1-CARBONYL)-6-TERT-BUTYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL]-2-METHYLBENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4473-0226
N-[3-(4-BENZYLPIPERAZINE-1-CARBONYL)-6-TERT-BUTYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL]-2-METHYLBENZAMIDE

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

4473-0226

Molecular Formula

C32H39N3O2S (C32 H39 N3 O2 S)

Compound Name

N-[3-(4-BENZYLPIPERAZINE-1-CARBONYL)-6-TERT-BUTYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL]-2-METHYLBENZAMIDE

IUPAC name

N-[3-(4-benzylpiperazine-1-carbonyl)-6-tert-butyl-4567-tetrahydro-1-benzothiophen-2-yl]-2-methylbenzamide

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(N1CCN(Cc3ccccc3)CC1)=O)c(NC(c1c(C)cccc1)=O)s2

InChI

InChI=1S/C32H39N3O2S/c1-22-10-8-9-13-25(22)29(36)33-30-28(26-15-14-24(32(2,3)4)20-27(26)38-30)31(37)35-18-16-34(17-19-35)21-23-11-6-5-7-12-23/h5-13,24H,14-21H2,1-4H3,(H,33,36)/t24-/m1/s1

InChI Key

RCFBXVMRCYXQBS-XMMPIXPASA-N

MDL Number (MFCD)

MFCD03017334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.75

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.283

Distribution Coefficient, logD

3.105

Water Solubility, LogSw

-5.44

Polar Surface Area

43.233

Acid Dissociation Constant (pKa)

4.22

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

4473-0226 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4473-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4473-0226?
Check Price and Availability of 4473-0226, 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 4473-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4473-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4473-0226
  • 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 4473-0226 available by request