1499-1022 Screening compound: 1-[3-(4-bromophenyl)-2-chloropropyl]-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea

1499-1022 Screening compound: 1-[3-(4-bromophenyl)-2-chloropropyl]-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea
1499-1022 Screening compound: 1-[3-(4-bromophenyl)-2-chloropropyl]-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 1499-1022
1-[3-(4-bromophenyl)-2-chloropropyl]-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea

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

1499-1022

Molecular Formula

C21H22BrClN4OS (C21 H22 BrClN4 OS)

Compound Name

1-[3-(4-bromophenyl)-2-chloropropyl]-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea

IUPAC name

1-[3-(4-bromophenyl)-2-chloropropyl]-3-(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)thiourea

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1NC(NCC(Cc(cc1)ccc1Br)Cl)=S

InChI

InChI=1S/C21H22BrClN4OS/c1-14-19(20(28)27(26(14)2)18-6-4-3-5-7-18)25-21(29)24-13-17(23)12-15-8-10-16(22)11-9-15/h3-11,17H,12-13H2,1-2H3,(H2,24,25,29)/t17-/m0/s1

InChI Key

BWNVPIPTLIQUFF-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00666988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.965

Distribution Coefficient, logD

3.965

Water Solubility, LogSw

-4.06

Polar Surface Area

40.764

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

-7.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 1499-1022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1499-1022?
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What is the minimum amount of 1499-1022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1499-1022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1499-1022
  • 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 1499-1022 available by request