K623-0337 Screening compound: N~2~-[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]-2-thiophenecarboxamide

K623-0337 Screening compound: N~2~-[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]-2-thiophenecarboxamide
K623-0337 Screening compound: N~2~-[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]-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K623-0337
N~2~-[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]-2-thiophenecarboxamide

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

K623-0337

Molecular Formula

C33H32N6O5S (C33 H32 N6 O5 S)

Compound Name

N~2~-[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]-2-thiophenecarboxamide

IUPAC name

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

SMILES

[O-][N+](c(cc1)ccc1N(CC1)CCN1C(c(cc1)cc(NC(c2cccs2)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O)=O

InChI

InChI=1S/C33H32N6O5S/c40-31-5-1-3-28-24-17-22(20-38(28)31)19-37(21-24)29-11-6-23(18-27(29)34-32(41)30-4-2-16-45-30)33(42)36-14-12-35(13-15-36)25-7-9-26(10-8-25)39(43)44/h1-11,16,18,22,24H,12-15,17,19-21H2,(H,34,41)

InChI Key

BADJQYIXDGOUPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02657037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

624.72

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.835

Distribution Coefficient, logD

4.829

Water Solubility, LogSw

-4.87

Polar Surface Area

95.791

Acid Dissociation Constant (pKa)

9.33

Base Dissociation Constant (pKb)

0.31

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.30

K623-0337 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 K623-0337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0337?
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What is the minimum amount of K623-0337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0337
  • 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 K623-0337 available by request