8008-7021 Screening compound: N-(4-{[(E)-[(dimethylamino)methylidene]amino]sulfonyl}phenyl)-2-[(5-methanesulfonamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

8008-7021 Screening compound: N-(4-{[(E)-[(dimethylamino)methylidene]amino]sulfonyl}phenyl)-2-[(5-methanesulfonamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
8008-7021 Screening compound: N-(4-{[(E)-[(dimethylamino)methylidene]amino]sulfonyl}phenyl)-2-[(5-methanesulfonamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-7021
N-(4-{[(E)-[(dimethylamino)methylidene]amino]sulfonyl}phenyl)-2-[(5-methanesulfonamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

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

8008-7021

Molecular Formula

C14H18N6O5S4 (C14 H18 N6 O5 S4)

Compound Name

N-(4-{[(E)-[(dimethylamino)methylidene]amino]sulfonyl}phenyl)-2-[(5-methanesulfonamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

IUPAC name

N-(4-{[(E)-[(dimethylamino)methylidene]amino]sulfonyl}phenyl)-2-[(5-methanesulfonamido-134-thiadiazol-2-yl)sulfanyl]acetamide

SMILES

CN(C)/C=N/S(c(cc1)ccc1NC(CSc1nnc(NS(C)(=O)=O)s1)=O)(=O)=O

InChI

InChI=1S/C14H18N6O5S4/c1-20(2)9-15-29(24,25)11-6-4-10(5-7-11)16-12(21)8-26-14-18-17-13(27-14)19-28(3,22)23/h4-7,9H,8H2,1-3H3,(H,16,21)(H,17,19)

InChI Key

ZBLFGLBGMQXCQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01622877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.6

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.584

Distribution Coefficient, logD

-0.288

Water Solubility, LogSw

-2.40

Polar Surface Area

127.709

Acid Dissociation Constant (pKa)

6.59

Base Dissociation Constant (pKb)

0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 8008-7021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-7021?
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What is the minimum amount of 8008-7021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-7021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-7021
  • 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 8008-7021 available by request