2513-1521 Screening compound: 4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide

2513-1521 Screening compound: 4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide
2513-1521 Screening compound: 4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2513-1521
4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]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

2513-1521

Molecular Formula

C21H23N5O7S2 (C21 H23 N5 O7 S2)

Compound Name

4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide

IUPAC name

4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(3-nitrophenyl)-134-thiadiazol-2-yl]benzamide

SMILES

COCCN(CCOC)S(c(cc1)ccc1C(Nc1nnc(-c2cc([N+]([O-])=O)ccc2)s1)=O)(=O)=O

InChI

InChI=1S/C21H23N5O7S2/c1-32-12-10-25(11-13-33-2)35(30,31)18-8-6-15(7-9-18)19(27)22-21-24-23-20(34-21)16-4-3-5-17(14-16)26(28)29/h3-9,14H,10-13H2,1-2H3,(H,22,24,27)

InChI Key

YVNUQRRATCYQLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01842619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.58

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.047

Distribution Coefficient, logD

3.030

Water Solubility, LogSw

-3.61

Polar Surface Area

128.273

Acid Dissociation Constant (pKa)

8.80

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

2513-1521 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 2513-1521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2513-1521?
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What is the minimum amount of 2513-1521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2513-1521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2513-1521
  • 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 2513-1521 available by request