1503-0023 Screening compound: 4-methyl-N-(2,2,2-trichloro-1-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]amino}ethyl)benzamide

1503-0023 Screening compound: 4-methyl-N-(2,2,2-trichloro-1-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]amino}ethyl)benzamide
1503-0023 Screening compound: 4-methyl-N-(2,2,2-trichloro-1-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]amino}ethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1503-0023
4-methyl-N-(2,2,2-trichloro-1-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]amino}ethyl)benzamide

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

1503-0023

Molecular Formula

C22H22Cl3N5O2S (C22 H22 Cl3 N5 O2 S)

Compound Name

4-methyl-N-(2,2,2-trichloro-1-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]amino}ethyl)benzamide

IUPAC name

4-methyl-N-(222-trichloro-1-{[(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)carbamothioyl]amino}ethyl)benzamide

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1NC(NC(C(Cl)(Cl)Cl)NC(c1ccc(C)cc1)=O)=S

InChI

InChI=1S/C22H22Cl3N5O2S/c1-13-9-11-15(12-10-13)18(31)27-20(22(23,24)25)28-21(33)26-17-14(2)29(3)30(19(17)32)16-7-5-4-6-8-16/h4-12,20H,1-3H3,(H,27,31)(H2,26,28,33)/t20-/m0/s1

InChI Key

XXZZFPUWDWWDGQ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD00548662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.225

Distribution Coefficient, logD

2.813

Water Solubility, LogSw

-3.82

Polar Surface Area

63.741

Acid Dissociation Constant (pKa)

7.20

Base Dissociation Constant (pKb)

-7.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

1503-0023 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1503-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1503-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1503-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1503-0023
  • 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 1503-0023 available by request