K621-0028 Screening compound: ethyl 4-[3-nitro-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]tetrahydro-1(2H)-pyrazinecarboxylate

K621-0028 Screening compound: ethyl 4-[3-nitro-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]tetrahydro-1(2H)-pyrazinecarboxylate
K621-0028 Screening compound: ethyl 4-[3-nitro-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]tetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K621-0028
ethyl 4-[3-nitro-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]tetrahydro-1(2H)-pyrazinecarboxylate

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

K621-0028

Molecular Formula

C25H29N5O6 (C25 H29 N5 O6)

Compound Name

ethyl 4-[3-nitro-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]tetrahydro-1(2H)-pyrazinecarboxylate

IUPAC name

ethyl 4-(3-nitro-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzoyl)piperazine-1-carboxylate

SMILES

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

InChI

InChI=1S/C25H29N5O6/c1-2-36-25(33)27-10-8-26(9-11-27)24(32)18-6-7-21(22(13-18)30(34)35)28-14-17-12-19(16-28)20-4-3-5-23(31)29(20)15-17/h3-7,13,17,19H,2,8-12,14-16H2,1H3

InChI Key

RTGOLQOWCGOTKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02656822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.352

Distribution Coefficient, logD

2.352

Water Solubility, LogSw

-2.72

Polar Surface Area

91.598

Acid Dissociation Constant (pKa)

24.80

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

48.00

References: we are preparing a list of scientific research reports with K621-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K621-0028?
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What is the minimum amount of K621-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K621-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K621-0028
  • 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 K621-0028 available by request