C269-0209 Screening compound: 10-(3-bromophenyl)-9-methyl-4-nitro-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

C269-0209 Screening compound: 10-(3-bromophenyl)-9-methyl-4-nitro-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
C269-0209 Screening compound: 10-(3-bromophenyl)-9-methyl-4-nitro-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C269-0209
10-(3-bromophenyl)-9-methyl-4-nitro-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

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

C269-0209

Molecular Formula

C17H14BrN3O4 (C17 H14 BrN3 O4)

Compound Name

10-(3-bromophenyl)-9-methyl-4-nitro-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

IUPAC name

10-(3-bromophenyl)-9-methyl-4-nitro-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-trien-11-one

SMILES

CC(CC1N2)(N(c3cccc(Br)c3)C2=O)Oc(cc2)c1cc2[N+]([O-])=O

InChI

InChI=1S/C17H14BrN3O4/c1-17-9-14(13-8-12(21(23)24)5-6-15(13)25-17)19-16(22)20(17)11-4-2-3-10(18)7-11/h2-8,14H,9H2,1H3,(H,19,22)

InChI Key

RNWBZSJFQLJKPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14739648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.22

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.184

Distribution Coefficient, logD

4.184

Water Solubility, LogSw

-4.57

Polar Surface Area

66.458

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with C269-0209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C269-0209?
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What is the minimum amount of C269-0209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C269-0209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C269-0209
  • 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 C269-0209 available by request