1936-2084 Screening compound: 2-methoxy-4-[(E)-{[(3-methyl-1H-pyrazol-5-yl)formamido]imino}methyl]-3-nitrophenyl acetate

1936-2084 Screening compound: 2-methoxy-4-[(E)-{[(3-methyl-1H-pyrazol-5-yl)formamido]imino}methyl]-3-nitrophenyl acetate
1936-2084 Screening compound: 2-methoxy-4-[(E)-{[(3-methyl-1H-pyrazol-5-yl)formamido]imino}methyl]-3-nitrophenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1936-2084
2-methoxy-4-[(E)-{[(3-methyl-1H-pyrazol-5-yl)formamido]imino}methyl]-3-nitrophenyl 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

1936-2084

Molecular Formula

C15H15N5O6 (C15 H15 N5 O6)

Compound Name

2-methoxy-4-[(E)-{[(3-methyl-1H-pyrazol-5-yl)formamido]imino}methyl]-3-nitrophenyl acetate

IUPAC name

2-methoxy-4-[(E)-{[(3-methyl-1H-pyrazol-5-yl)formamido]imino}methyl]-3-nitrophenyl acetate

SMILES

CC(Oc1ccc(/C=N/NC(c2cc(C)n[nH]2)=O)c([N+]([O-])=O)c1OC)=O

InChI

InChI=1S/C15H15N5O6/c1-8-6-11(18-17-8)15(22)19-16-7-10-4-5-12(26-9(2)21)14(25-3)13(10)20(23)24/h4-7H,1-3H3,(H,17,18)(H,19,22)

InChI Key

RBVLZHWIOIZYMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00646633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.31

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.045

Distribution Coefficient, logD

2.032

Water Solubility, LogSw

-2.96

Polar Surface Area

119.456

Acid Dissociation Constant (pKa)

8.93

Base Dissociation Constant (pKb)

1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

1936-2084 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1936-2084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1936-2084?
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What is the minimum amount of 1936-2084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1936-2084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1936-2084
  • 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 1936-2084 available by request