8018-0987 Screening compound: ethyl 2-[3-(5-bromofuran-2-amido)-1H-pyrazol-1-yl]acetate

8018-0987 Screening compound: ethyl 2-[3-(5-bromofuran-2-amido)-1H-pyrazol-1-yl]acetate
8018-0987 Screening compound: ethyl 2-[3-(5-bromofuran-2-amido)-1H-pyrazol-1-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-0987
ethyl 2-[3-(5-bromofuran-2-amido)-1H-pyrazol-1-yl]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

8018-0987

Molecular Formula

C12H12BrN3O4 (C12 H12 BrN3 O4)

Compound Name

ethyl 2-[3-(5-bromofuran-2-amido)-1H-pyrazol-1-yl]acetate

IUPAC name

ethyl 2-[3-(5-bromofuran-2-amido)-1H-pyrazol-1-yl]acetate

SMILES

CCOC(Cn(cc1)nc1NC(c(o1)ccc1Br)=O)=O

InChI

InChI=1S/C12H12BrN3O4/c1-2-19-11(17)7-16-6-5-10(15-16)14-12(18)8-3-4-9(13)20-8/h3-6H,2,7H2,1H3,(H,14,15,18)

InChI Key

FJNTZPFQJFGQCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07022551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.15

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.818

Distribution Coefficient, logD

1.329

Water Solubility, LogSw

-2.39

Polar Surface Area

67.642

Acid Dissociation Constant (pKa)

7.08

Base Dissociation Constant (pKb)

-3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8018-0987 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro
Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8018-0987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-0987?
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What is the minimum amount of 8018-0987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-0987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-0987
  • 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 8018-0987 available by request