1935-0167 Screening compound: (acetyloxy)[4-(4-bromo-2-nitrophenyl)-3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-1-yl]methyl acetate

1935-0167 Screening compound: (acetyloxy)[4-(4-bromo-2-nitrophenyl)-3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-1-yl]methyl acetate
1935-0167 Screening compound: (acetyloxy)[4-(4-bromo-2-nitrophenyl)-3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-1-yl]methyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1935-0167
(acetyloxy)[4-(4-bromo-2-nitrophenyl)-3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-1-yl]methyl acetate

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

1935-0167

Molecular Formula

C19H15BrN2O9 (C19 H15 BrN2 O9)

Compound Name

(acetyloxy)[4-(4-bromo-2-nitrophenyl)-3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-1-yl]methyl acetate

IUPAC name

(acetyloxy)[4-(4-bromo-2-nitrophenyl)-35-dioxo-10-oxa-4-azatricyclo[5.2.1.0^{26}]dec-8-en-1-yl]methyl acetate

SMILES

CC(OC(C1(C(C2C(N3c(ccc(Br)c4)c4[N+]([O-])=O)=O)C3=O)OC2C=C1)OC(C)=O)=O

InChI

InChI=1S/C19H15BrN2O9/c1-8(23)29-18(30-9(2)24)19-6-5-13(31-19)14-15(19)17(26)21(16(14)25)11-4-3-10(20)7-12(11)22(27)28/h3-7,13-15,18H,1-2H3

InChI Key

HXZSKXIMDVXOCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01095984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.24

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.395

Distribution Coefficient, logD

1.395

Water Solubility, LogSw

-2.10

Polar Surface Area

111.648

Acid Dissociation Constant (pKa)

16.72

Base Dissociation Constant (pKb)

-10.43

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

36.80

1935-0167 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1935-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1935-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1935-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1935-0167
  • 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 1935-0167 available by request