K622-0247 Screening compound: (7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)-N-[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]methanesulfonamide

K622-0247 Screening compound: (7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)-N-[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]methanesulfonamide
K622-0247 Screening compound: (7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)-N-[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]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K622-0247
(7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)-N-[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]methanesulfonamide

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

K622-0247

Molecular Formula

C38H44N6O7S (C38 H44 N6 O7 S)

Compound Name

(7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)-N-[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]methanesulfonamide

IUPAC name

1-{77-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl}-N-{5-[4-(4-nitrophenyl)piperazine-1-carbonyl]-2-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}phenyl}methanesulfonamide

SMILES

CC(C)(C(CC1)C2)C1(CS(Nc(cc(cc1)C(N(CC3)CCN3c(cc3)ccc3[N+]([O-])=O)=O)c1N(CC(C1)CN34)CC1C4=CC=CC3=O)(=O)=O)C2=O

InChI

InChI=1S/C38H44N6O7S/c1-37(2)28-12-13-38(37,34(45)20-28)24-52(50,51)39-31-19-26(36(47)41-16-14-40(15-17-41)29-7-9-30(10-8-29)44(48)49)6-11-33(31)42-21-25-18-27(23-42)32-4-3-5-35(46)43(32)22-25/h3-11,19,25,27-28,39H,12-18,20-24H2,1-2H3

InChI Key

UTLHKGRTFYLNAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02656879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

728.87

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

5.212

Distribution Coefficient, logD

3.502

Water Solubility, LogSw

-5.06

Polar Surface Area

128.050

Acid Dissociation Constant (pKa)

5.70

Base Dissociation Constant (pKb)

2.00

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with K622-0247 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of K622-0247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K622-0247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K622-0247
  • 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 K622-0247 available by request