K623-0333 Screening compound: 3,4,5-trimethoxy-N~1~-[5-{[4-(4-nitrophenyl)piperazino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]benzamide

K623-0333 Screening compound: 3,4,5-trimethoxy-N~1~-[5-{[4-(4-nitrophenyl)piperazino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]benzamide
K623-0333 Screening compound: 3,4,5-trimethoxy-N~1~-[5-{[4-(4-nitrophenyl)piperazino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K623-0333
3,4,5-trimethoxy-N~1~-[5-{[4-(4-nitrophenyl)piperazino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]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

K623-0333

Molecular Formula

C38H40N6O8 (C38 H40 N6 O8)

Compound Name

3,4,5-trimethoxy-N~1~-[5-{[4-(4-nitrophenyl)piperazino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]benzamide

IUPAC name

345-trimethoxy-N-{5-[4-(4-nitrophenyl)piperazine-1-carbonyl]-2-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}phenyl}benzamide

SMILES

COc1cc(C(Nc(cc(cc2)C(N(CC3)CCN3c(cc3)ccc3[N+]([O-])=O)=O)c2N(CC(C2)CN34)CC2C4=CC=CC3=O)=O)cc(OC)c1OC

InChI

InChI=1S/C38H40N6O8/c1-50-33-19-26(20-34(51-2)36(33)52-3)37(46)39-30-18-25(38(47)41-15-13-40(14-16-41)28-8-10-29(11-9-28)44(48)49)7-12-32(30)42-21-24-17-27(23-42)31-5-4-6-35(45)43(31)22-24/h4-12,18-20,24,27H,13-17,21-23H2,1-3H3,(H,39,46)

InChI Key

DWFDHFWMLBRBEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02657033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

708.77

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

4.703

Distribution Coefficient, logD

4.702

Water Solubility, LogSw

-4.47

Polar Surface Area

117.750

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.20

K623-0333 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K623-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0333?
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What is the minimum amount of K623-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0333
  • 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 K623-0333 available by request