3970-0866 Screening compound: 1-(hydroxymethyl)-4-(4-methoxy-2-nitrophenyl)-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

3970-0866 Screening compound: 1-(hydroxymethyl)-4-(4-methoxy-2-nitrophenyl)-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
3970-0866 Screening compound: 1-(hydroxymethyl)-4-(4-methoxy-2-nitrophenyl)-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3970-0866
1-(hydroxymethyl)-4-(4-methoxy-2-nitrophenyl)-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

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

3970-0866

Molecular Formula

C16H14N2O7 (C16 H14 N2 O7)

Compound Name

1-(hydroxymethyl)-4-(4-methoxy-2-nitrophenyl)-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

IUPAC name

1-(hydroxymethyl)-4-(4-methoxy-2-nitrophenyl)-10-oxa-4-azatricyclo[5.2.1.0^{26}]dec-8-ene-35-dione

SMILES

COc(cc1)cc([N+]([O-])=O)c1N(C(C(C12)C3OC2(CO)C=C3)=O)C1=O

InChI

InChI=1S/C16H14N2O7/c1-24-8-2-3-9(10(6-8)18(22)23)17-14(20)12-11-4-5-16(7-19,25-11)13(12)15(17)21/h2-6,11-13,19H,7H2,1H3

InChI Key

PMUABOSFLCFYPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01470372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.3

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.471

Distribution Coefficient, logD

0.471

Water Solubility, LogSw

-1.79

Polar Surface Area

94.434

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

-9.25

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

37.50

3970-0866 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3970-0866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3970-0866?
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What is the minimum amount of 3970-0866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3970-0866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3970-0866
  • 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 3970-0866 available by request