K784-8902 Screening compound: 2-{[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbothioyl]amino}-N~1~-(1-phenylethyl)acetamide

K784-8902 Screening compound: 2-{[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbothioyl]amino}-N~1~-(1-phenylethyl)acetamide
K784-8902 Screening compound: 2-{[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbothioyl]amino}-N~1~-(1-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-8902
2-{[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbothioyl]amino}-N~1~-(1-phenylethyl)acetamide

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

K784-8902

Molecular Formula

C22H26N4O2S (C22 H26 N4 O2 S)

Compound Name

2-{[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbothioyl]amino}-N~1~-(1-phenylethyl)acetamide

IUPAC name

2-({6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-diene-11-carbothioyl}amino)-N-(1-phenylethyl)acetamide

SMILES

CC(c1ccccc1)NC(CNC(N(CC(C1)CN23)CC1C3=CC=CC2=O)=S)=O

InChI

InChI=1S/C22H26N4O2S/c1-15(17-6-3-2-4-7-17)24-20(27)11-23-22(29)25-12-16-10-18(14-25)19-8-5-9-21(28)26(19)13-16/h2-9,15-16,18H,10-14H2,1H3,(H,23,29)(H,24,27)

InChI Key

HJYVTSYUTQIGBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.990

Distribution Coefficient, logD

2.990

Water Solubility, LogSw

-3.34

Polar Surface Area

51.792

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with K784-8902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-8902?
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What is the minimum amount of K784-8902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-8902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-8902
  • 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 K784-8902 available by request