8002-5956 Screening compound: 2-({6-[(1-carboxyethyl)amino]-2,2,3,3,4,4,5,5-octafluoro-6-oxohexanoyl}amino)propanoic acid

8002-5956 Screening compound: 2-({6-[(1-carboxyethyl)amino]-2,2,3,3,4,4,5,5-octafluoro-6-oxohexanoyl}amino)propanoic acid
8002-5956 Screening compound: 2-({6-[(1-carboxyethyl)amino]-2,2,3,3,4,4,5,5-octafluoro-6-oxohexanoyl}amino)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-5956
2-({6-[(1-carboxyethyl)amino]-2,2,3,3,4,4,5,5-octafluoro-6-oxohexanoyl}amino)propanoic 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

8002-5956

Molecular Formula

C12H12F8N2O6 (C12 H12 F8 N2 O6)

Compound Name

2-({6-[(1-carboxyethyl)amino]-2,2,3,3,4,4,5,5-octafluoro-6-oxohexanoyl}amino)propanoic acid

IUPAC name

n/a

SMILES

CC(C(O)=O)NC(C(C(C(C(C(NC(C)C(O)=O)=O)(F)F)(F)F)(F)F)(F)F)=O

InChI

InChI=1S/C12H12F8N2O6/c1-3(5(23)24)21-7(27)9(13,14)11(17,18)12(19,20)10(15,16)8(28)22-4(2)6(25)26/h3-4H,1-2H3,(H,21,27)(H,22,28)(H,23,24)(H,25,26)

InChI Key

TZNUMRMBKPVVIK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.22

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.442

Distribution Coefficient, logD

-4.091

Water Solubility, LogSw

-0.62

Polar Surface Area

105.022

Acid Dissociation Constant (pKa)

3.75

Base Dissociation Constant (pKb)

-5.90

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.70

References: we are preparing a list of scientific research reports with 8002-5956 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-5956?
Check Price and Availability of 8002-5956, 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 8002-5956 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-5956
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-5956
  • 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 8002-5956 available by request