8016-0604 Screening compound: N~1~-[4-(aminosulfonyl)phenyl]-3-(5-methyl-2-oxotetrahydro-3-furanyl)propanamide

8016-0604 Screening compound: N~1~-[4-(aminosulfonyl)phenyl]-3-(5-methyl-2-oxotetrahydro-3-furanyl)propanamide
8016-0604 Screening compound: N~1~-[4-(aminosulfonyl)phenyl]-3-(5-methyl-2-oxotetrahydro-3-furanyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-0604
N~1~-[4-(aminosulfonyl)phenyl]-3-(5-methyl-2-oxotetrahydro-3-furanyl)propanamide

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

8016-0604

Molecular Formula

C14H18N2O5S (C14 H18 N2 O5 S)

Compound Name

N~1~-[4-(aminosulfonyl)phenyl]-3-(5-methyl-2-oxotetrahydro-3-furanyl)propanamide

IUPAC name

n/a

SMILES

CC(CC1CCC(Nc(cc2)ccc2S(N)(=O)=O)=O)OC1=O

InChI

InChI=1S/C14H18N2O5S/c1-9-8-10(14(18)21-9)2-7-13(17)16-11-3-5-12(6-4-11)22(15,19)20/h3-6,9-10H,2,7-8H2,1H3,(H,16,17)(H2,15,19,20)

InChI Key

PERWDRHBZYZMPC-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.37

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.566

Distribution Coefficient, logD

0.565

Water Solubility, LogSw

-1.89

Polar Surface Area

95.229

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.90

8016-0604 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-0604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-0604?
Check Price and Availability of 8016-0604, 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 8016-0604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-0604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-0604
  • 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 8016-0604 available by request