0099-0323 Screening compound: (2E)-3-({6-[(2E)-3-carboxyprop-2-enamido]hexyl}carbamoyl)prop-2-enoic acid

0099-0323 Screening compound: (2E)-3-({6-[(2E)-3-carboxyprop-2-enamido]hexyl}carbamoyl)prop-2-enoic acid
0099-0323 Screening compound: (2E)-3-({6-[(2E)-3-carboxyprop-2-enamido]hexyl}carbamoyl)prop-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0099-0323
(2E)-3-({6-[(2E)-3-carboxyprop-2-enamido]hexyl}carbamoyl)prop-2-enoic 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

0099-0323

Molecular Formula

C14H20N2O6 (C14 H20 N2 O6)

Compound Name

(2E)-3-({6-[(2E)-3-carboxyprop-2-enamido]hexyl}carbamoyl)prop-2-enoic acid

IUPAC name

(2E)-3-({6-[(2E)-3-carboxyprop-2-enamido]hexyl}carbamoyl)prop-2-enoic acid

SMILES

OC(/C=C/C(NCCCCCCNC(/C=C/C(O)=O)=O)=O)=O

InChI

InChI=1S/C14H20N2O6/c17-11(5-7-13(19)20)15-9-3-1-2-4-10-16-12(18)6-8-14(21)22/h5-8H,1-4,9-10H2,(H,15,17)(H,16,18)(H,19,20)(H,21,22)

InChI Key

WPUBWLUSKQXZNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00600519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.32

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.549

Distribution Coefficient, logD

-3.497

Water Solubility, LogSw

-0.87

Polar Surface Area

105.904

Acid Dissociation Constant (pKa)

3.35

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

0099-0323 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0099-0323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0099-0323?
Check Price and Availability of 0099-0323, 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 0099-0323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0099-0323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0099-0323
  • 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 0099-0323 available by request