4076-0303 Screening compound: methyl 4-{[(Z)-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)hydrazono]methyl}benzoate

4076-0303 Screening compound: methyl 4-{[(Z)-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)hydrazono]methyl}benzoate
4076-0303 Screening compound: methyl 4-{[(Z)-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)hydrazono]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4076-0303
methyl 4-{[(Z)-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)hydrazono]methyl}benzoate

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

4076-0303

Molecular Formula

C19H18N4O2S (C19 H18 N4 O2 S)

Compound Name

methyl 4-{[(Z)-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)hydrazono]methyl}benzoate

IUPAC name

methyl 4-[(Z)-(2-{8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-yl}hydrazin-1-ylidene)methyl]benzoate

SMILES

COC(c1ccc(/C=N\Nc2c(c(CCCC3)c3s3)c3ncn2)cc1)=O

InChI

InChI=1S/C19H18N4O2S/c1-25-19(24)13-8-6-12(7-9-13)10-22-23-17-16-14-4-2-3-5-15(14)26-18(16)21-11-20-17/h6-11H,2-5H2,1H3,(H,20,21,23)

InChI Key

OERKMHKTHMNFNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04126640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.759

Distribution Coefficient, logD

4.759

Water Solubility, LogSw

-4.77

Polar Surface Area

64.024

Acid Dissociation Constant (pKa)

11.69

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with 4076-0303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4076-0303?
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What is the minimum amount of 4076-0303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4076-0303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4076-0303
  • 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 4076-0303 available by request