K781-1267 Screening compound: 2-bromo-5-methoxy-N~1~-[5-{[(2-methoxyethyl)amino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]benzamide

K781-1267 Screening compound: 2-bromo-5-methoxy-N~1~-[5-{[(2-methoxyethyl)amino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]benzamide
K781-1267 Screening compound: 2-bromo-5-methoxy-N~1~-[5-{[(2-methoxyethyl)amino]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 K781-1267
2-bromo-5-methoxy-N~1~-[5-{[(2-methoxyethyl)amino]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

K781-1267

Molecular Formula

C29H31BrN4O5 (C29 H31 BrN4 O5)

Compound Name

2-bromo-5-methoxy-N~1~-[5-{[(2-methoxyethyl)amino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]benzamide

IUPAC name

3-(2-bromo-5-methoxybenzamido)-N-(2-methoxyethyl)-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzamide

SMILES

COCCNC(c(cc1)cc(NC(c(cc(cc2)OC)c2Br)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O

InChI

InChI=1S/C29H31BrN4O5/c1-38-11-10-31-28(36)19-6-9-26(24(13-19)32-29(37)22-14-21(39-2)7-8-23(22)30)33-15-18-12-20(17-33)25-4-3-5-27(35)34(25)16-18/h3-9,13-14,18,20H,10-12,15-17H2,1-2H3,(H,31,36)(H,32,37)

InChI Key

NLTHCYXTCOGUPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02653094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

595.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.021

Distribution Coefficient, logD

3.711

Water Solubility, LogSw

-4.31

Polar Surface Area

81.895

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.50

References: we are preparing a list of scientific research reports with K781-1267 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-1267?
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What is the minimum amount of K781-1267 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-1267
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-1267
  • 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 K781-1267 available by request