8003-7173 Screening compound: 4-[(E)-{[(5-bromopyridin-3-yl)formamido]imino}methyl]phenyl 5-nitrofuran-2-carboxylate

8003-7173 Screening compound: 4-[(E)-{[(5-bromopyridin-3-yl)formamido]imino}methyl]phenyl 5-nitrofuran-2-carboxylate
8003-7173 Screening compound: 4-[(E)-{[(5-bromopyridin-3-yl)formamido]imino}methyl]phenyl 5-nitrofuran-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-7173
4-[(E)-{[(5-bromopyridin-3-yl)formamido]imino}methyl]phenyl 5-nitrofuran-2-carboxylate

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

8003-7173

Molecular Formula

C18H11BrN4O6 (C18 H11 BrN4 O6)

Compound Name

4-[(E)-{[(5-bromopyridin-3-yl)formamido]imino}methyl]phenyl 5-nitrofuran-2-carboxylate

IUPAC name

4-[(E)-{[(5-bromopyridin-3-yl)formamido]imino}methyl]phenyl 5-nitrofuran-2-carboxylate

SMILES

[O-][N+](c1ccc(C(Oc2ccc(/C=N/NC(c3cc(Br)cnc3)=O)cc2)=O)o1)=O

InChI

InChI=1S/C18H11BrN4O6/c19-13-7-12(9-20-10-13)17(24)22-21-8-11-1-3-14(4-2-11)28-18(25)15-5-6-16(29-15)23(26)27/h1-10H,(H,22,24)

InChI Key

UHITUILWNYEHEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00570077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.21

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.059

Distribution Coefficient, logD

2.932

Water Solubility, LogSw

-3.45

Polar Surface Area

108.200

Acid Dissociation Constant (pKa)

7.87

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8003-7173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-7173?
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What is the minimum amount of 8003-7173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-7173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-7173
  • 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 8003-7173 available by request