C795-0703 Screening compound: N~1~-(3-methoxybenzyl)-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]propanamide

C795-0703 Screening compound: N~1~-(3-methoxybenzyl)-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]propanamide
C795-0703 Screening compound: N~1~-(3-methoxybenzyl)-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0703
N~1~-(3-methoxybenzyl)-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]propanamide

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

C795-0703

Molecular Formula

C22H21N3O3S (C22 H21 N3 O3 S)

Compound Name

N~1~-(3-methoxybenzyl)-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]propanamide

IUPAC name

N-[(3-methoxyphenyl)methyl]-2-{6-methyl-3-oxo-8-thia-45-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)51012-pentaen-4-yl}propanamide

SMILES

CC(C(NCc1cc(OC)ccc1)=O)N1N=C(C)c(sc2c3cccc2)c3C1=O

InChI

InChI=1S/C22H21N3O3S/c1-13-20-19(17-9-4-5-10-18(17)29-20)22(27)25(24-13)14(2)21(26)23-12-15-7-6-8-16(11-15)28-3/h4-11,14H,12H2,1-3H3,(H,23,26)/t14-/m0/s1

InChI Key

FRBFAGHXMAEFOX-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14797038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.679

Distribution Coefficient, logD

3.679

Water Solubility, LogSw

-4.40

Polar Surface Area

58.149

Acid Dissociation Constant (pKa)

13.88

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

C795-0703 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C795-0703 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0703?
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What is the minimum amount of C795-0703 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0703
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0703
  • 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 C795-0703 available by request