C481-1838 Screening compound: 7-[4-(2,1,3-benzothiadiazole-4-sulfonamido)butanamido]-4-hydroxynaphthalene-2-sulfonic acid

C481-1838 Screening compound: 7-[4-(2,1,3-benzothiadiazole-4-sulfonamido)butanamido]-4-hydroxynaphthalene-2-sulfonic acid
C481-1838 Screening compound: 7-[4-(2,1,3-benzothiadiazole-4-sulfonamido)butanamido]-4-hydroxynaphthalene-2-sulfonic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C481-1838
7-[4-(2,1,3-benzothiadiazole-4-sulfonamido)butanamido]-4-hydroxynaphthalene-2-sulfonic acid

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

C481-1838

Molecular Formula

C20H18N4O7S3 (C20 H18 N4 O7 S3)

Compound Name

7-[4-(2,1,3-benzothiadiazole-4-sulfonamido)butanamido]-4-hydroxynaphthalene-2-sulfonic acid

IUPAC name

7-[4-(213-benzothiadiazole-4-sulfonamido)butanamido]-4-hydroxynaphthalene-2-sulfonic acid

SMILES

Oc1cc(S(O)(=O)=O)cc2cc(NC(CCCNS(c3cccc4nsnc34)(=O)=O)=O)ccc12

InChI

InChI=1S/C20H18N4O7S3/c25-17-11-14(34(29,30)31)10-12-9-13(6-7-15(12)17)22-19(26)5-2-8-21-33(27,28)18-4-1-3-16-20(18)24-32-23-16/h1,3-4,6-7,9-11,21,25H,2,5,8H2,(H,22,26)(H,29,30,31)

InChI Key

WWJVPHXPAYZETM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14760774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.58

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-0.272

Distribution Coefficient, logD

-14.290

Water Solubility, LogSw

-2.43

Polar Surface Area

144.631

Acid Dissociation Constant (pKa)

-6.62

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with C481-1838 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C481-1838?
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What is the minimum amount of C481-1838 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C481-1838
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C481-1838
  • 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 C481-1838 available by request