4488-1796 Screening compound: 2-(3-bromobenzamido)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

4488-1796 Screening compound: 2-(3-bromobenzamido)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
4488-1796 Screening compound: 2-(3-bromobenzamido)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4488-1796
2-(3-bromobenzamido)-6-tert-butyl-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

4488-1796

Molecular Formula

C20H23BrN2O2S (C20 H23 BrN2 O2 S)

Compound Name

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

IUPAC name

2-(3-bromobenzamido)-6-tert-butyl-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(N)=O)c(NC(c1cccc(Br)c1)=O)s2

InChI

InChI=1S/C20H23BrN2O2S/c1-20(2,3)12-7-8-14-15(10-12)26-19(16(14)17(22)24)23-18(25)11-5-4-6-13(21)9-11/h4-6,9,12H,7-8,10H2,1-3H3,(H2,22,24)(H,23,25)/t12-/m1/s1

InChI Key

MMHMLNDJTCOGPI-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD02919302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.400

Distribution Coefficient, logD

1.936

Water Solubility, LogSw

-4.61

Polar Surface Area

57.103

Acid Dissociation Constant (pKa)

4.94

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

4488-1796 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4488-1796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4488-1796?
Check Price and Availability of 4488-1796, 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 4488-1796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4488-1796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4488-1796
  • 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 4488-1796 available by request