C799-0366 Screening compound: N~1~-(4-ethylbenzyl)-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide

C799-0366 Screening compound: N~1~-(4-ethylbenzyl)-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide
C799-0366 Screening compound: N~1~-(4-ethylbenzyl)-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C799-0366
N~1~-(4-ethylbenzyl)-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide

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

C799-0366

Molecular Formula

C24H25N3O2S (C24 H25 N3 O2 S)

Compound Name

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

IUPAC name

N-[(4-ethylphenyl)methyl]-2-{6-methyl-3-oxo-8-thia-45-diazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)5911-pentaen-4-yl}butanamide

SMILES

CCC(C(NCc1ccc(CC)cc1)=O)N1N=C(C)c(sc2c3cccc2)c3C1=O

InChI

InChI=1S/C24H25N3O2S/c1-4-16-10-12-17(13-11-16)14-25-23(28)19(5-2)27-24(29)21-18-8-6-7-9-20(18)30-22(21)15(3)26-27/h6-13,19H,4-5,14H2,1-3H3,(H,25,28)/t19-/m0/s1

InChI Key

RNPALHQORRIADV-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14799472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.270

Distribution Coefficient, logD

5.270

Water Solubility, LogSw

-5.40

Polar Surface Area

50.189

Acid Dissociation Constant (pKa)

13.18

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

C799-0366 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C799-0366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C799-0366?
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What is the minimum amount of C799-0366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C799-0366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C799-0366
  • 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 C799-0366 available by request