K784-4916 Screening compound: N~1~-[2-(1-cyclohexenyl)ethyl]-3-{[(2,4-dichloroanilino)carbothioyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

K784-4916 Screening compound: N~1~-[2-(1-cyclohexenyl)ethyl]-3-{[(2,4-dichloroanilino)carbothioyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide
K784-4916 Screening compound: N~1~-[2-(1-cyclohexenyl)ethyl]-3-{[(2,4-dichloroanilino)carbothioyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-4916
N~1~-[2-(1-cyclohexenyl)ethyl]-3-{[(2,4-dichloroanilino)carbothioyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

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

K784-4916

Molecular Formula

C33H35Cl2N5O2S (C33 H35 Cl2 N5 O2 S)

Compound Name

N~1~-[2-(1-cyclohexenyl)ethyl]-3-{[(2,4-dichloroanilino)carbothioyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-3-{[(24-dichlorophenyl)carbamothioyl]amino}-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzamide

SMILES

O=C(c(cc1)cc(NC(Nc(ccc(Cl)c2)c2Cl)=S)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)NCCC1=CCCCC1

InChI

InChI=1S/C33H35Cl2N5O2S/c34-25-10-11-27(26(35)17-25)37-33(43)38-28-16-23(32(42)36-14-13-21-5-2-1-3-6-21)9-12-30(28)39-18-22-15-24(20-39)29-7-4-8-31(41)40(29)19-22/h4-5,7-12,16-17,22,24H,1-3,6,13-15,18-20H2,(H,36,42)(H2,37,38,43)

InChI Key

LIJFSUDJWTYBHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15097953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

636.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.218

Distribution Coefficient, logD

7.217

Water Solubility, LogSw

-6.68

Polar Surface Area

60.963

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.40

K784-4916 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with K784-4916 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-4916?
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What is the minimum amount of K784-4916 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-4916
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-4916
  • 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 K784-4916 available by request