4488-1836 Screening compound: N-{6-tert-butyl-3-[(prop-2-en-1-yl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}furan-2-carboxamide

4488-1836 Screening compound: N-{6-tert-butyl-3-[(prop-2-en-1-yl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}furan-2-carboxamide
4488-1836 Screening compound: N-{6-tert-butyl-3-[(prop-2-en-1-yl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4488-1836
N-{6-tert-butyl-3-[(prop-2-en-1-yl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}furan-2-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

4488-1836

Molecular Formula

C21H26N2O3S (C21 H26 N2 O3 S)

Compound Name

N-{6-tert-butyl-3-[(prop-2-en-1-yl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}furan-2-carboxamide

IUPAC name

N-{6-tert-butyl-3-[(prop-2-en-1-yl)carbamoyl]-4567-tetrahydro-1-benzothiophen-2-yl}furan-2-carboxamide

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(NCC=C)=O)c(NC(c1ccco1)=O)s2

InChI

InChI=1S/C21H26N2O3S/c1-5-10-22-19(25)17-14-9-8-13(21(2,3)4)12-16(14)27-20(17)23-18(24)15-7-6-11-26-15/h5-7,11,13H,1,8-10,12H2,2-4H3,(H,22,25)(H,23,24)/t13-/m1/s1

InChI Key

FSTZYSSIRJXFGR-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD03017410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.240

Distribution Coefficient, logD

2.828

Water Solubility, LogSw

-4.39

Polar Surface Area

56.149

Acid Dissociation Constant (pKa)

6.00

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

4488-1836 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 4488-1836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4488-1836?
Check Price and Availability of 4488-1836, 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 4488-1836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4488-1836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4488-1836
  • 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 4488-1836 available by request