C105-1574 Screening compound: methyl 4-[3-(2,1,3-benzoxadiazole-4-sulfonamido)propanamido]benzoate

C105-1574 Screening compound: methyl 4-[3-(2,1,3-benzoxadiazole-4-sulfonamido)propanamido]benzoate
C105-1574 Screening compound: methyl 4-[3-(2,1,3-benzoxadiazole-4-sulfonamido)propanamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C105-1574
methyl 4-[3-(2,1,3-benzoxadiazole-4-sulfonamido)propanamido]benzoate

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

C105-1574

Molecular Formula

C17H16N4O6S (C17 H16 N4 O6 S)

Compound Name

methyl 4-[3-(2,1,3-benzoxadiazole-4-sulfonamido)propanamido]benzoate

IUPAC name

methyl 4-[3-(213-benzoxadiazole-4-sulfonamido)propanamido]benzoate

SMILES

COC(c(cc1)ccc1NC(CCNS(c1cccc2nonc12)(=O)=O)=O)=O

InChI

InChI=1S/C17H16N4O6S/c1-26-17(23)11-5-7-12(8-6-11)19-15(22)9-10-18-28(24,25)14-4-2-3-13-16(14)21-27-20-13/h2-8,18H,9-10H2,1H3,(H,19,22)

InChI Key

RHZHUPPMKJVDJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.4

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.440

Distribution Coefficient, logD

2.435

Water Solubility, LogSw

-2.77

Polar Surface Area

122.251

Acid Dissociation Constant (pKa)

9.30

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

C105-1574 in Drug Discovery

Included in Screening Libraries

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 C105-1574 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C105-1574?
Check Price and Availability of C105-1574, 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 C105-1574 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C105-1574
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C105-1574
  • 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 C105-1574 available by request