4130-5455 Screening compound: N-(3-chloro-2-methylphenyl)-9H-xanthene-9-carboxamide

4130-5455 Screening compound: N-(3-chloro-2-methylphenyl)-9H-xanthene-9-carboxamide
4130-5455 Screening compound: N-(3-chloro-2-methylphenyl)-9H-xanthene-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4130-5455
N-(3-chloro-2-methylphenyl)-9H-xanthene-9-carboxamide

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

4130-5455

Molecular Formula

C21H16ClNO2 (C21 H16 ClNO2)

Compound Name

N-(3-chloro-2-methylphenyl)-9H-xanthene-9-carboxamide

IUPAC name

N-(3-chloro-2-methylphenyl)-9H-xanthene-9-carboxamide

SMILES

Cc(c(NC(C1c(cccc2)c2Oc2c1cccc2)=O)ccc1)c1Cl

InChI

InChI=1S/C21H16ClNO2/c1-13-16(22)9-6-10-17(13)23-21(24)20-14-7-2-4-11-18(14)25-19-12-5-3-8-15(19)20/h2-12,20H,1H3,(H,23,24)

InChI Key

BJVMBLJMFVDJMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00249710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.82

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.240

Distribution Coefficient, logD

-2.449

Water Solubility, LogSw

-5.68

Polar Surface Area

29.445

Acid Dissociation Constant (pKa)

5.66

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 4130-5455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4130-5455?
Check Price and Availability of 4130-5455, 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 4130-5455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4130-5455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4130-5455
  • 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 4130-5455 available by request