3617-1459 Screening compound: N-[2-(4-chlorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]furan-2-carboxamide

3617-1459 Screening compound: N-[2-(4-chlorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]furan-2-carboxamide
3617-1459 Screening compound: N-[2-(4-chlorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3617-1459
N-[2-(4-chlorophenyl)-6-methyl-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

3617-1459

Molecular Formula

C18H13ClN4O2 (C18 H13 ClN4 O2)

Compound Name

N-[2-(4-chlorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]furan-2-carboxamide

IUPAC name

N-[2-(4-chlorophenyl)-6-methyl-2H-123-benzotriazol-5-yl]furan-2-carboxamide

SMILES

Cc1cc2nn(-c(cc3)ccc3Cl)nc2cc1NC(c1ccco1)=O

InChI

InChI=1S/C18H13ClN4O2/c1-11-9-15-16(10-14(11)20-18(24)17-3-2-8-25-17)22-23(21-15)13-6-4-12(19)5-7-13/h2-10H,1H3,(H,20,24)

InChI Key

ZCKSDPLCAVYDIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02635671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.78

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.044

Distribution Coefficient, logD

4.035

Water Solubility, LogSw

-4.33

Polar Surface Area

55.244

Acid Dissociation Constant (pKa)

9.07

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with 3617-1459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3617-1459?
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What is the minimum amount of 3617-1459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3617-1459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3617-1459
  • 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 3617-1459 available by request