3257-4526 Screening compound: 2-[(3-nitrophenyl)carbamoyl]cyclohexane-1-carboxylic acid

3257-4526 Screening compound: 2-[(3-nitrophenyl)carbamoyl]cyclohexane-1-carboxylic acid
3257-4526 Screening compound: 2-[(3-nitrophenyl)carbamoyl]cyclohexane-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3257-4526
2-[(3-nitrophenyl)carbamoyl]cyclohexane-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

3257-4526

Molecular Formula

C14H16N2O5 (C14 H16 N2 O5)

Compound Name

2-[(3-nitrophenyl)carbamoyl]cyclohexane-1-carboxylic acid

IUPAC name

2-[(3-nitrophenyl)carbamoyl]cyclohexane-1-carboxylic acid

SMILES

[O-][N+](c1cc(NC(C(CCCC2)C2C(O)=O)=O)ccc1)=O

InChI

InChI=1S/C14H16N2O5/c17-13(11-6-1-2-7-12(11)14(18)19)15-9-4-3-5-10(8-9)16(20)21/h3-5,8,11-12H,1-2,6-7H2,(H,15,17)(H,18,19)

InChI Key

WLUJSGQJOUITAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00586321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.29

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.265

Distribution Coefficient, logD

-0.386

Water Solubility, LogSw

-2.80

Polar Surface Area

85.311

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.90

3257-4526 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3257-4526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3257-4526?
Check Price and Availability of 3257-4526, 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 3257-4526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3257-4526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3257-4526
  • 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 3257-4526 available by request