8007-7746 Screening compound: 2-({5-[(E)-[(dimethylamino)methylidene]amino]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-(4-{[(E)-[(dimethylamino)methylidene]amino]sulfonyl}phenyl)acetamide

8007-7746 Screening compound: 2-({5-[(E)-[(dimethylamino)methylidene]amino]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-(4-{[(E)-[(dimethylamino)methylidene]amino]sulfonyl}phenyl)acetamide
8007-7746 Screening compound: 2-({5-[(E)-[(dimethylamino)methylidene]amino]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-(4-{[(E)-[(dimethylamino)methylidene]amino]sulfonyl}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-7746
2-({5-[(E)-[(dimethylamino)methylidene]amino]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-(4-{[(E)-[(dimethylamino)methylidene]amino]sulfonyl}phenyl)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

8007-7746

Molecular Formula

C16H21N7O3S3 (C16 H21 N7 O3 S3)

Compound Name

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

IUPAC name

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

SMILES

CN(C)/C=N/c1nnc(SCC(Nc(cc2)ccc2S(/N=C/N(C)C)(=O)=O)=O)s1

InChI

InChI=1S/C16H21N7O3S3/c1-22(2)10-17-15-20-21-16(28-15)27-9-14(24)19-12-5-7-13(8-6-12)29(25,26)18-11-23(3)4/h5-8,10-11H,9H2,1-4H3,(H,19,24)

InChI Key

SOPGYRUGIDYQLU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.538

Distribution Coefficient, logD

0.470

Water Solubility, LogSw

-2.47

Polar Surface Area

97.087

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

6.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with 8007-7746 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-7746?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-7746
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-7746
  • 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 8007-7746 available by request