1313-0449 Screening compound: 4-(difluoromethoxy)benzaldehyde 1-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)hydrazone

1313-0449 Screening compound: 4-(difluoromethoxy)benzaldehyde 1-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)hydrazone
1313-0449 Screening compound: 4-(difluoromethoxy)benzaldehyde 1-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)hydrazone alternative view

Chemical Structure Depiction of ChemDiv screening compound 1313-0449
4-(difluoromethoxy)benzaldehyde 1-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)hydrazone

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

1313-0449

Molecular Formula

C18H16F2N4OS (C18 H16 F2 N4 OS)

Compound Name

4-(difluoromethoxy)benzaldehyde 1-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)hydrazone

IUPAC name

3-[(2E)-2-{[4-(difluoromethoxy)phenyl]methylidene}hydrazin-1-yl]-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraene

SMILES

FC(Oc1ccc(/C=N/Nc2c(c(CCCC3)c3s3)c3ncn2)cc1)F

InChI

InChI=1S/C18H16F2N4OS/c19-18(20)25-12-7-5-11(6-8-12)9-23-24-16-15-13-3-1-2-4-14(13)26-17(15)22-10-21-16/h5-10,18H,1-4H2,(H,21,22,24)

InChI Key

PIELBAKZPLULDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00705043

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.754

Distribution Coefficient, logD

4.753

Water Solubility, LogSw

-5.01

Polar Surface Area

49.455

Acid Dissociation Constant (pKa)

11.69

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

1313-0449 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1313-0449 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1313-0449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1313-0449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1313-0449
  • 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 1313-0449 available by request