1763-0554 Screening compound: 1,4-dimethyl 2-(5-nitrofuran-2-amido)benzene-1,4-dicarboxylate

1763-0554 Screening compound: 1,4-dimethyl 2-(5-nitrofuran-2-amido)benzene-1,4-dicarboxylate
1763-0554 Screening compound: 1,4-dimethyl 2-(5-nitrofuran-2-amido)benzene-1,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1763-0554
1,4-dimethyl 2-(5-nitrofuran-2-amido)benzene-1,4-dicarboxylate

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

1763-0554

Molecular Formula

C15H12N2O8 (C15 H12 N2 O8)

Compound Name

1,4-dimethyl 2-(5-nitrofuran-2-amido)benzene-1,4-dicarboxylate

IUPAC name

14-dimethyl 2-(5-nitrofuran-2-amido)benzene-14-dicarboxylate

SMILES

COC(c(cc1)cc(NC(c2ccc([N+]([O-])=O)o2)=O)c1C(OC)=O)=O

InChI

InChI=1S/C15H12N2O8/c1-23-14(19)8-3-4-9(15(20)24-2)10(7-8)16-13(18)11-5-6-12(25-11)17(21)22/h3-7H,1-2H3,(H,16,18)

InChI Key

KUBSOOMZGHURCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00814316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.27

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.248

Distribution Coefficient, logD

0.706

Water Solubility, LogSw

-3.11

Polar Surface Area

107.640

Acid Dissociation Constant (pKa)

5.87

Base Dissociation Constant (pKb)

-6.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

1763-0554 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 1763-0554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1763-0554?
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What is the minimum amount of 1763-0554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1763-0554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1763-0554
  • 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 1763-0554 available by request