K623-0334 Screening compound: 3,5-dimethoxy-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

K623-0334 Screening compound: 3,5-dimethoxy-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
K623-0334 Screening compound: 3,5-dimethoxy-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 K623-0334
3,5-dimethoxy-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

K623-0334

Molecular Formula

C37H38N6O7 (C37 H38 N6 O7)

Compound Name

3,5-dimethoxy-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

35-dimethoxy-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)c1

InChI

InChI=1S/C37H38N6O7/c1-49-30-17-26(18-31(20-30)50-2)36(45)38-32-19-25(37(46)40-14-12-39(13-15-40)28-7-9-29(10-8-28)43(47)48)6-11-34(32)41-21-24-16-27(23-41)33-4-3-5-35(44)42(33)22-24/h3-11,17-20,24,27H,12-16,21-23H2,1-2H3,(H,38,45)

InChI Key

GDRYQLWPEIAJNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02657034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

678.74

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

5.187

Distribution Coefficient, logD

5.185

Water Solubility, LogSw

-5.06

Polar Surface Area

109.860

Acid Dissociation Constant (pKa)

9.65

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.40

K623-0334 in Drug Discovery

Included in Screening Libraries

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 K623-0334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0334?
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What is the minimum amount of K623-0334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0334
  • 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 K623-0334 available by request