3934-0107 Screening compound: 4-[5-({[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]methyl}sulfanyl)-1H-1,2,3,4-tetrazol-1-yl]benzoic acid

3934-0107 Screening compound: 4-[5-({[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]methyl}sulfanyl)-1H-1,2,3,4-tetrazol-1-yl]benzoic acid
3934-0107 Screening compound: 4-[5-({[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]methyl}sulfanyl)-1H-1,2,3,4-tetrazol-1-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3934-0107
4-[5-({[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]methyl}sulfanyl)-1H-1,2,3,4-tetrazol-1-yl]benzoic 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

3934-0107

Molecular Formula

C21H19N7O4S (C21 H19 N7 O4 S)

Compound Name

4-[5-({[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]methyl}sulfanyl)-1H-1,2,3,4-tetrazol-1-yl]benzoic acid

IUPAC name

4-[5-({[(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)carbamoyl]methyl}sulfanyl)-1H-1234-tetrazol-1-yl]benzoic acid

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1NC(CSc1nnnn1-c(cc1)ccc1C(O)=O)=O

InChI

InChI=1S/C21H19N7O4S/c1-13-18(19(30)28(26(13)2)16-6-4-3-5-7-16)22-17(29)12-33-21-23-24-25-27(21)15-10-8-14(9-11-15)20(31)32/h3-11H,12H2,1-2H3,(H,22,29)(H,31,32)

InChI Key

NXWIYACKYHHXHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01872763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.293

Distribution Coefficient, logD

-1.593

Water Solubility, LogSw

-2.01

Polar Surface Area

111.828

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

3934-0107 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3934-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3934-0107?
Check Price and Availability of 3934-0107, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3934-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3934-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3934-0107
  • 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 3934-0107 available by request