3573-0040 Screening compound: 1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-3-(2,3-dimethyl-1H-indol-1-yl)-2-propanol

3573-0040 Screening compound: 1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-3-(2,3-dimethyl-1H-indol-1-yl)-2-propanol
3573-0040 Screening compound: 1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-3-(2,3-dimethyl-1H-indol-1-yl)-2-propanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3573-0040
1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-3-(2,3-dimethyl-1H-indol-1-yl)-2-propanol

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

3573-0040

Molecular Formula

C18H22BrN3O (C18 H22 BrN3 O)

Compound Name

1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-3-(2,3-dimethyl-1H-indol-1-yl)-2-propanol

IUPAC name

1-(4-bromo-35-dimethyl-1H-pyrazol-1-yl)-3-(23-dimethyl-1H-indol-1-yl)propan-2-ol

SMILES

Cc1c(C)n(CC(Cn2nc(C)c(Br)c2C)O)c2c1cccc2

InChI

InChI=1S/C18H22BrN3O/c1-11-13(3)21(17-8-6-5-7-16(11)17)9-15(23)10-22-14(4)18(19)12(2)20-22/h5-8,15,23H,9-10H2,1-4H3/t15-/m0/s1

InChI Key

GAGJAHQNKGFUGK-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD02157454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.3

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.285

Distribution Coefficient, logD

3.285

Water Solubility, LogSw

-2.99

Polar Surface Area

32.612

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.89

3573-0040 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3573-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3573-0040?
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What is the minimum amount of 3573-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3573-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3573-0040
  • 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 3573-0040 available by request