3777-1657 Screening compound: 5-(3-chlorophenyl)-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)furan-2-carboxamide

3777-1657 Screening compound: 5-(3-chlorophenyl)-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)furan-2-carboxamide
3777-1657 Screening compound: 5-(3-chlorophenyl)-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3777-1657
5-(3-chlorophenyl)-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)furan-2-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

3777-1657

Molecular Formula

C23H15ClN4O2 (C23 H15 ClN4 O2)

Compound Name

5-(3-chlorophenyl)-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)furan-2-carboxamide

IUPAC name

5-(3-chlorophenyl)-N-(2-phenyl-2H-123-benzotriazol-5-yl)furan-2-carboxamide

SMILES

O=C(c1ccc(-c2cccc(Cl)c2)o1)Nc1cc2nn(-c3ccccc3)nc2cc1

InChI

InChI=1S/C23H15ClN4O2/c24-16-6-4-5-15(13-16)21-11-12-22(30-21)23(29)25-17-9-10-19-20(14-17)27-28(26-19)18-7-2-1-3-8-18/h1-14H,(H,25,29)

InChI Key

AFXJJMROLLYXOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02805574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.036

Distribution Coefficient, logD

6.034

Water Solubility, LogSw

-6.27

Polar Surface Area

55.763

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3777-1657 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3777-1657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3777-1657?
Check Price and Availability of 3777-1657, 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 3777-1657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3777-1657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3777-1657
  • 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 3777-1657 available by request