3333-3453 Screening compound: 1-(2-bromobenzoyl)-3-(4-bromophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazole

3333-3453 Screening compound: 1-(2-bromobenzoyl)-3-(4-bromophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazole
3333-3453 Screening compound: 1-(2-bromobenzoyl)-3-(4-bromophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3333-3453
1-(2-bromobenzoyl)-3-(4-bromophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazole

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

3333-3453

Molecular Formula

C20H14Br2N2O2 (C20 H14 Br2 N2 O2)

Compound Name

1-(2-bromobenzoyl)-3-(4-bromophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazole

IUPAC name

1-(2-bromobenzoyl)-3-(4-bromophenyl)-5-(furan-2-yl)-45-dihydro-1H-pyrazole

SMILES

O=C(c(cccc1)c1Br)N(C(C1)c2ccco2)N=C1c(cc1)ccc1Br

InChI

InChI=1S/C20H14Br2N2O2/c21-14-9-7-13(8-10-14)17-12-18(19-6-3-11-26-19)24(23-17)20(25)15-4-1-2-5-16(15)22/h1-11,18H,12H2/t18-/m0/s1

InChI Key

ADSVFDGJYSWCSR-SFHVURJKSA-N

MDL Number (MFCD)

MFCD03679541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.15

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.499

Distribution Coefficient, logD

5.499

Water Solubility, LogSw

-5.83

Polar Surface Area

35.693

Acid Dissociation Constant (pKa)

22.31

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

3333-3453 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3333-3453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3333-3453?
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What is the minimum amount of 3333-3453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3333-3453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3333-3453
  • 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 3333-3453 available by request