4473-0328 Screening compound: 6-tert-butyl-2-(4-chlorobenzamido)-N,N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

4473-0328 Screening compound: 6-tert-butyl-2-(4-chlorobenzamido)-N,N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
4473-0328 Screening compound: 6-tert-butyl-2-(4-chlorobenzamido)-N,N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4473-0328
6-tert-butyl-2-(4-chlorobenzamido)-N,N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-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

4473-0328

Molecular Formula

C22H27ClN2O2S (C22 H27 ClN2 O2 S)

Compound Name

6-tert-butyl-2-(4-chlorobenzamido)-N,N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

6-tert-butyl-2-(4-chlorobenzamido)-NN-dimethyl-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(N(C)C)=O)c(NC(c(cc1)ccc1Cl)=O)s2

InChI

InChI=1S/C22H27ClN2O2S/c1-22(2,3)14-8-11-16-17(12-14)28-20(18(16)21(27)25(4)5)24-19(26)13-6-9-15(23)10-7-13/h6-7,9-10,14H,8,11-12H2,1-5H3,(H,24,26)/t14-/m1/s1

InChI Key

YMSFOBJPUJZHGR-CQSZACIVSA-N

MDL Number (MFCD)

MFCD03199306

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.99

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.897

Distribution Coefficient, logD

1.317

Water Solubility, LogSw

-5.15

Polar Surface Area

39.045

Acid Dissociation Constant (pKa)

3.82

Base Dissociation Constant (pKb)

-2.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

4473-0328 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 4473-0328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4473-0328?
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What is the minimum amount of 4473-0328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4473-0328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4473-0328
  • 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 4473-0328 available by request