K621-0001 Screening compound: N~1~-(3-morpholinopropyl)-3-nitro-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

K621-0001 Screening compound: N~1~-(3-morpholinopropyl)-3-nitro-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide
K621-0001 Screening compound: N~1~-(3-morpholinopropyl)-3-nitro-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K621-0001
N~1~-(3-morpholinopropyl)-3-nitro-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)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

K621-0001

Molecular Formula

C25H31N5O5 (C25 H31 N5 O5)

Compound Name

N~1~-(3-morpholinopropyl)-3-nitro-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

IUPAC name

N-[3-(morpholin-4-yl)propyl]-3-nitro-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzamide

SMILES

[O-][N+](c(cc(cc1)C(NCCCN2CCOCC2)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O

InChI

InChI=1S/C25H31N5O5/c31-24-4-1-3-21-20-13-18(16-29(21)24)15-28(17-20)22-6-5-19(14-23(22)30(33)34)25(32)26-7-2-8-27-9-11-35-12-10-27/h1,3-6,14,18,20H,2,7-13,15-17H2,(H,26,32)

InChI Key

LYRACOKDWFKDEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02656800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.679

Distribution Coefficient, logD

1.290

Water Solubility, LogSw

-2.26

Polar Surface Area

88.315

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

7.56

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.00

References: we are preparing a list of scientific research reports with K621-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K621-0001?
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What is the minimum amount of K621-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K621-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K621-0001
  • 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 K621-0001 available by request