K617-0099 Screening compound: 3-methoxy-N~1~-{(1Z,3E)-4-(2-methoxyphenyl)-1-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]-1,3-butadienyl}benzamide

K617-0099 Screening compound: 3-methoxy-N~1~-{(1Z,3E)-4-(2-methoxyphenyl)-1-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]-1,3-butadienyl}benzamide
K617-0099 Screening compound: 3-methoxy-N~1~-{(1Z,3E)-4-(2-methoxyphenyl)-1-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]-1,3-butadienyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K617-0099
3-methoxy-N~1~-{(1Z,3E)-4-(2-methoxyphenyl)-1-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]-1,3-butadienyl}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

K617-0099

Molecular Formula

C31H31N3O5 (C31 H31 N3 O5)

Compound Name

3-methoxy-N~1~-{(1Z,3E)-4-(2-methoxyphenyl)-1-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]-1,3-butadienyl}benzamide

IUPAC name

3-methoxy-N-[(2Z4E)-5-(2-methoxyphenyl)-1-oxo-1-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}penta-24-dien-2-yl]benzamide

SMILES

COc1cccc(C(N/C(/C(N(CC(C2)CN34)CC2C4=CC=CC3=O)=O)=C\C=C\c(cccc2)c2OC)=O)c1

InChI

InChI=1S/C31H31N3O5/c1-38-25-11-5-10-23(17-25)30(36)32-26(12-6-9-22-8-3-4-14-28(22)39-2)31(37)33-18-21-16-24(20-33)27-13-7-15-29(35)34(27)19-21/h3-15,17,21,24H,16,18-20H2,1-2H3,(H,32,36)

InChI Key

XVXRUYBYOFQPFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02656749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.693

Distribution Coefficient, logD

3.373

Water Solubility, LogSw

-4.48

Polar Surface Area

69.684

Acid Dissociation Constant (pKa)

6.10

Base Dissociation Constant (pKb)

3.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.80

References: we are preparing a list of scientific research reports with K617-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K617-0099?
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What is the minimum amount of K617-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K617-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K617-0099
  • 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 K617-0099 available by request