1067-0555 Screening compound: 3-[5-({N'-[(E)-(anthracen-9-yl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]-1-phenylurea

1067-0555 Screening compound: 3-[5-({N'-[(E)-(anthracen-9-yl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]-1-phenylurea
1067-0555 Screening compound: 3-[5-({N'-[(E)-(anthracen-9-yl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]-1-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound 1067-0555
3-[5-({N'-[(E)-(anthracen-9-yl)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

1067-0555

Molecular Formula

C26H20N6O2S (C26 H20 N6 O2 S)

Compound Name

3-[5-({N'-[(E)-(anthracen-9-yl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]-1-phenylurea

IUPAC name

3-[5-({N'-[(E)-(anthracen-9-yl)methylidene]hydrazinecarbonyl}methyl)-134-thiadiazol-2-yl]-1-phenylurea

SMILES

O=C(Cc1nnc(NC(Nc2ccccc2)=O)s1)N/N=C/c1c(cccc2)c2cc2ccccc12

InChI

InChI=1S/C26H20N6O2S/c33-23(15-24-31-32-26(35-24)29-25(34)28-19-10-2-1-3-11-19)30-27-16-22-20-12-6-4-8-17(20)14-18-9-5-7-13-21(18)22/h1-14,16H,15H2,(H,30,33)(H2,28,29,32,34)

InChI Key

OBHYVWNBELDMGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00682031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.898

Distribution Coefficient, logD

5.896

Water Solubility, LogSw

-7.06

Polar Surface Area

91.141

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.80

1067-0555 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 1067-0555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1067-0555?
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What is the minimum amount of 1067-0555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1067-0555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1067-0555
  • 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 1067-0555 available by request