3172-0711 Screening compound: 4-[(4Z)-4-{[3-bromo-4-(dimethylamino)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide

3172-0711 Screening compound: 4-[(4Z)-4-{[3-bromo-4-(dimethylamino)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide
3172-0711 Screening compound: 4-[(4Z)-4-{[3-bromo-4-(dimethylamino)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3172-0711
4-[(4Z)-4-{[3-bromo-4-(dimethylamino)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide

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

3172-0711

Molecular Formula

C19H19BrN4O3S (C19 H19 BrN4 O3 S)

Compound Name

4-[(4Z)-4-{[3-bromo-4-(dimethylamino)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide

IUPAC name

4-[(4Z)-4-{[3-bromo-4-(dimethylamino)phenyl]methylidene}-3-methyl-5-oxo-45-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide

SMILES

CC(/C(/C1=O)=C/c(cc2)cc(Br)c2N(C)C)=NN1c(cc1)ccc1S(N)(=O)=O

InChI

InChI=1S/C19H19BrN4O3S/c1-12-16(10-13-4-9-18(23(2)3)17(20)11-13)19(25)24(22-12)14-5-7-15(8-6-14)28(21,26)27/h4-11H,1-3H3,(H2,21,26,27)

InChI Key

QVEZWVHECCKLGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02214146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.36

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

2.645

Distribution Coefficient, logD

2.644

Water Solubility, LogSw

-3.32

Polar Surface Area

78.694

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

3172-0711 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Carbonic Anhydrase II Library (4939 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3172-0711 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3172-0711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3172-0711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3172-0711
  • 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 3172-0711 available by request