4530-7257 Screening compound: 4-(4-bromobenzoyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-5-(2-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one

4530-7257 Screening compound: 4-(4-bromobenzoyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-5-(2-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one
4530-7257 Screening compound: 4-(4-bromobenzoyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-5-(2-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4530-7257
4-(4-bromobenzoyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-5-(2-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one

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

4530-7257

Molecular Formula

C24H22BrN3O4 (C24 H22 BrN3 O4)

Compound Name

4-(4-bromobenzoyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-5-(2-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

4-(4-bromobenzoyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-5-(2-methoxyphenyl)-25-dihydro-1H-pyrrol-2-one

SMILES

COc1c(C(C(C(c(cc2)ccc2Br)=O)=C2O)N(CCCn3cncc3)C2=O)cccc1

InChI

InChI=1S/C24H22BrN3O4/c1-32-19-6-3-2-5-18(19)21-20(22(29)16-7-9-17(25)10-8-16)23(30)24(31)28(21)13-4-12-27-14-11-26-15-27/h2-3,5-11,14-15,21,30H,4,12-13H2,1H3/t21-/m1/s1

InChI Key

DBYNMYYIJAXMJP-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD03043702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.465

Distribution Coefficient, logD

3.222

Water Solubility, LogSw

-3.53

Polar Surface Area

65.236

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with 4530-7257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4530-7257?
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What is the minimum amount of 4530-7257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4530-7257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4530-7257
  • 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 4530-7257 available by request