8005-0624 Screening compound: 2-{2,2,3,3,4,4-hexafluoro-4-[(2-sulfoethyl)carbamoyl]butanamido}ethane-1-sulfonic acid

8005-0624 Screening compound: 2-{2,2,3,3,4,4-hexafluoro-4-[(2-sulfoethyl)carbamoyl]butanamido}ethane-1-sulfonic acid
8005-0624 Screening compound: 2-{2,2,3,3,4,4-hexafluoro-4-[(2-sulfoethyl)carbamoyl]butanamido}ethane-1-sulfonic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-0624
2-{2,2,3,3,4,4-hexafluoro-4-[(2-sulfoethyl)carbamoyl]butanamido}ethane-1-sulfonic acid

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

8005-0624

Molecular Formula

C9H12F6N2O8S2 (C9 H12 F6 N2 O8 S2)

Compound Name

2-{2,2,3,3,4,4-hexafluoro-4-[(2-sulfoethyl)carbamoyl]butanamido}ethane-1-sulfonic acid

IUPAC name

2-{223344-hexafluoro-4-[(2-sulfoethyl)carbamoyl]butanamido}ethane-1-sulfonic acid

SMILES

OS(CCNC(C(C(C(C(NCCS(O)(=O)=O)=O)(F)F)(F)F)(F)F)=O)(=O)=O

InChI

InChI=1S/C9H12F6N2O8S2/c10-7(11,5(18)16-1-3-26(20,21)22)9(14,15)8(12,13)6(19)17-2-4-27(23,24)25/h1-4H2,(H,16,18)(H,17,19)(H,20,21,22)(H,23,24,25)

InChI Key

BNBTVOIXECIKBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00747242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.33

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-3.864

Distribution Coefficient, logD

-13.181

Water Solubility, LogSw

-0.91

Polar Surface Area

135.682

Acid Dissociation Constant (pKa)

-1.92

Base Dissociation Constant (pKb)

-5.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

77.80

8005-0624 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 8005-0624 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-0624?
Check Price and Availability of 8005-0624, 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 8005-0624 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-0624
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-0624
  • 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 8005-0624 available by request