C545-0222 Screening compound: N-[(2,3,4,9-tetrahydro-1H-carbazol-6-yl)methyl]benzamide

C545-0222 Screening compound: N-[(2,3,4,9-tetrahydro-1H-carbazol-6-yl)methyl]benzamide
C545-0222 Screening compound: N-[(2,3,4,9-tetrahydro-1H-carbazol-6-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C545-0222
N-[(2,3,4,9-tetrahydro-1H-carbazol-6-yl)methyl]benzamide

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

C545-0222

Molecular Formula

C20H20N2O (C20 H20 N2 O)

Compound Name

N-[(2,3,4,9-tetrahydro-1H-carbazol-6-yl)methyl]benzamide

IUPAC name

N-[(2349-tetrahydro-1H-carbazol-6-yl)methyl]benzamide

SMILES

O=C(c1ccccc1)NCc(cc1)cc2c1[nH]c1c2CCCC1

InChI

InChI=1S/C20H20N2O/c23-20(15-6-2-1-3-7-15)21-13-14-10-11-19-17(12-14)16-8-4-5-9-18(16)22-19/h1-3,6-7,10-12,22H,4-5,8-9,13H2,(H,21,23)

InChI Key

VUHSOOSOELYTDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04469371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.39

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.303

Distribution Coefficient, logD

3.303

Water Solubility, LogSw

-3.56

Polar Surface Area

35.422

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

-2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C545-0222 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C545-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C545-0222?
Check Price and Availability of C545-0222, 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 C545-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C545-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C545-0222
  • 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 C545-0222 available by request