K784-4921 Screening compound: 3-{[(2,4-dichloroanilino)carbothioyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-(tetrahydro-2-furanylmethyl)benzamide

K784-4921 Screening compound: 3-{[(2,4-dichloroanilino)carbothioyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-(tetrahydro-2-furanylmethyl)benzamide
K784-4921 Screening compound: 3-{[(2,4-dichloroanilino)carbothioyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-(tetrahydro-2-furanylmethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-4921
3-{[(2,4-dichloroanilino)carbothioyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-(tetrahydro-2-furanylmethyl)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

K784-4921

Molecular Formula

C30H31Cl2N5O3S (C30 H31 Cl2 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)cc(NC(Nc(ccc(Cl)c2)c2Cl)=S)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)NCC1OCCC1

InChI

InChI=1S/C30H31Cl2N5O3S/c31-21-7-8-24(23(32)13-21)34-30(41)35-25-12-19(29(39)33-14-22-3-2-10-40-22)6-9-27(25)36-15-18-11-20(17-36)26-4-1-5-28(38)37(26)16-18/h1,4-9,12-13,18,20,22H,2-3,10-11,14-17H2,(H,33,39)(H2,34,35,41)

InChI Key

GUCKEZNCJJNHCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15097954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

612.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.464

Distribution Coefficient, logD

5.464

Water Solubility, LogSw

-5.97

Polar Surface Area

69.583

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

36.70

K784-4921 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with K784-4921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-4921?
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What is the minimum amount of K784-4921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-4921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-4921
  • 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 K784-4921 available by request