2083-1886 Screening compound: 5-(5-{[(4Z)-1-(3-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid

2083-1886 Screening compound: 5-(5-{[(4Z)-1-(3-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid
2083-1886 Screening compound: 5-(5-{[(4Z)-1-(3-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2083-1886
5-(5-{[(4Z)-1-(3-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid

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

2083-1886

Molecular Formula

C21H12BrClN2O5 (C21 H12 BrClN2 O5)

Compound Name

5-(5-{[(4Z)-1-(3-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid

IUPAC name

5-(5-{[(4Z)-1-(3-bromophenyl)-35-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid

SMILES

OC(c(cc(cc1)-c2ccc(/C=C(/C(NN3c4cccc(Br)c4)=O)\C3=O)o2)c1Cl)=O

InChI

InChI=1S/C21H12BrClN2O5/c22-12-2-1-3-13(9-12)25-20(27)16(19(26)24-25)10-14-5-7-18(30-14)11-4-6-17(23)15(8-11)21(28)29/h1-10H,(H,24,26)(H,28,29)

InChI Key

MNEKPNYNUBVLFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01158276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.69

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.693

Distribution Coefficient, logD

0.262

Water Solubility, LogSw

-4.60

Polar Surface Area

78.738

Acid Dissociation Constant (pKa)

2.97

Base Dissociation Constant (pKb)

-8.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2083-1886 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2083-1886 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2083-1886?
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What is the minimum amount of 2083-1886 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2083-1886
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2083-1886
  • 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 2083-1886 available by request