F514-0657 Screening compound: N-(3-chloro-4-methoxyphenyl)-3-[5-(diethylsulfamoyl)-1H-1,2,3-benzotriazol-1-yl]propanamide

F514-0657 Screening compound: N-(3-chloro-4-methoxyphenyl)-3-[5-(diethylsulfamoyl)-1H-1,2,3-benzotriazol-1-yl]propanamide
F514-0657 Screening compound: N-(3-chloro-4-methoxyphenyl)-3-[5-(diethylsulfamoyl)-1H-1,2,3-benzotriazol-1-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F514-0657
N-(3-chloro-4-methoxyphenyl)-3-[5-(diethylsulfamoyl)-1H-1,2,3-benzotriazol-1-yl]propanamide

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

F514-0657

Molecular Formula

C20H24ClN5O4S (C20 H24 ClN5 O4 S)

Compound Name

N-(3-chloro-4-methoxyphenyl)-3-[5-(diethylsulfamoyl)-1H-1,2,3-benzotriazol-1-yl]propanamide

IUPAC name

N-(3-chloro-4-methoxyphenyl)-3-[5-(diethylsulfamoyl)-1H-123-benzotriazol-1-yl]propanamide

SMILES

CCN(CC)S(c(cc1)cc2c1n(CCC(Nc(cc1)cc(Cl)c1OC)=O)nn2)(=O)=O

InChI

InChI=1S/C20H24ClN5O4S/c1-4-25(5-2)31(28,29)15-7-8-18-17(13-15)23-24-26(18)11-10-20(27)22-14-6-9-19(30-3)16(21)12-14/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,22,27)

InChI Key

WVMBAAGQZPTRBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27171612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.96

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.780

Distribution Coefficient, logD

2.779

Water Solubility, LogSw

-3.52

Polar Surface Area

87.519

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with F514-0657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F514-0657?
Check Price and Availability of F514-0657, 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 F514-0657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F514-0657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F514-0657
  • 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 F514-0657 available by request