K784-6565 Screening compound: 3-{[(4-ethoxyanilino)carbonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-propylbenzamide

K784-6565 Screening compound: 3-{[(4-ethoxyanilino)carbonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-propylbenzamide
K784-6565 Screening compound: 3-{[(4-ethoxyanilino)carbonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-propylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-6565
3-{[(4-ethoxyanilino)carbonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-propylbenzamide

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

K784-6565

Molecular Formula

C30H35N5O4 (C30 H35 N5 O4)

Compound Name

3-{[(4-ethoxyanilino)carbonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-propylbenzamide

IUPAC name

3-{[(4-ethoxyphenyl)carbamoyl]amino}-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}-N-propylbenzamide

SMILES

CCCNC(c(cc1)cc(NC(Nc(cc2)ccc2OCC)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O

InChI

InChI=1S/C30H35N5O4/c1-3-14-31-29(37)21-8-13-27(25(16-21)33-30(38)32-23-9-11-24(12-10-23)39-4-2)34-17-20-15-22(19-34)26-6-5-7-28(36)35(26)18-20/h5-13,16,20,22H,3-4,14-15,17-19H2,1-2H3,(H,31,37)(H2,32,33,38)

InChI Key

ZNMOCZFQLNRRTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15098534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.956

Distribution Coefficient, logD

4.956

Water Solubility, LogSw

-4.52

Polar Surface Area

82.344

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.70

K784-6565 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K784-6565 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-6565?
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What is the minimum amount of K784-6565 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-6565
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-6565
  • 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 K784-6565 available by request