1067-0547 Screening compound: 3-[5-({N'-[(E)-[4-(dimethylamino)phenyl]methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]-1-phenylurea

1067-0547 Screening compound: 3-[5-({N'-[(E)-[4-(dimethylamino)phenyl]methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]-1-phenylurea
1067-0547 Screening compound: 3-[5-({N'-[(E)-[4-(dimethylamino)phenyl]methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]-1-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound 1067-0547
3-[5-({N'-[(E)-[4-(dimethylamino)phenyl]methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]-1-phenylurea

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

1067-0547

Molecular Formula

C20H21N7O2S (C20 H21 N7 O2 S)

Compound Name

3-[5-({N'-[(E)-[4-(dimethylamino)phenyl]methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]-1-phenylurea

IUPAC name

3-[5-({N'-[(E)-[4-(dimethylamino)phenyl]methylidene]hydrazinecarbonyl}methyl)-134-thiadiazol-2-yl]-1-phenylurea

SMILES

CN(C)c1ccc(/C=N/NC(Cc2nnc(NC(Nc3ccccc3)=O)s2)=O)cc1

InChI

InChI=1S/C20H21N7O2S/c1-27(2)16-10-8-14(9-11-16)13-21-24-17(28)12-18-25-26-20(30-18)23-19(29)22-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,24,28)(H2,22,23,26,29)

InChI Key

YURZAPRYRYARGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00681839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.314

Distribution Coefficient, logD

3.311

Water Solubility, LogSw

-3.70

Polar Surface Area

94.489

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

8.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

1067-0547 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1067-0547 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1067-0547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1067-0547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1067-0547
  • 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 1067-0547 available by request