3360-8974 Screening compound: 6-({[4-(carboxymethyl)phenyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid

3360-8974 Screening compound: 6-({[4-(carboxymethyl)phenyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid
3360-8974 Screening compound: 6-({[4-(carboxymethyl)phenyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3360-8974
6-({[4-(carboxymethyl)phenyl]amino}carbonyl)-3-cyclohexene-1-carboxylic 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

3360-8974

Molecular Formula

C16H17NO5 (C16 H17 NO5)

Compound Name

6-({[4-(carboxymethyl)phenyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid

IUPAC name

n/a

SMILES

OC(Cc(cc1)ccc1NC(C(CC=CC1)C1C(O)=O)=O)=O

InChI

InChI=1S/C16H17NO5/c18-14(19)9-10-5-7-11(8-6-10)17-15(20)12-3-1-2-4-13(12)16(21)22/h1-2,5-8,12-13H,3-4,9H2,(H,17,20)(H,18,19)(H,21,22)

InChI Key

FFYSVGSKVNSEGP-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.400

Distribution Coefficient, logD

-1.684

Water Solubility, LogSw

-1.93

Polar Surface Area

80.314

Acid Dissociation Constant (pKa)

4.32

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.25

References: we are preparing a list of scientific research reports with 3360-8974 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3360-8974?
Check Price and Availability of 3360-8974, 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 3360-8974 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3360-8974
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3360-8974
  • 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 3360-8974 available by request