C630-0285 Screening compound: 1-(2-bromophenyl)-4-{1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one

C630-0285 Screening compound: 1-(2-bromophenyl)-4-{1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one
C630-0285 Screening compound: 1-(2-bromophenyl)-4-{1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C630-0285
1-(2-bromophenyl)-4-{1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-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

C630-0285

Molecular Formula

C26H24BrN3O2 (C26 H24 BrN3 O2)

Compound Name

1-(2-bromophenyl)-4-{1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one

IUPAC name

1-(2-bromophenyl)-4-{1-[2-(3-methylphenoxy)ethyl]-1H-13-benzodiazol-2-yl}pyrrolidin-2-one

SMILES

Cc1cccc(OCCn2c(cccc3)c3nc2C(CC2=O)CN2c(cccc2)c2Br)c1

InChI

InChI=1S/C26H24BrN3O2/c1-18-7-6-8-20(15-18)32-14-13-29-24-12-5-3-10-22(24)28-26(29)19-16-25(31)30(17-19)23-11-4-2-9-21(23)27/h2-12,15,19H,13-14,16-17H2,1H3/t19-/m1/s1

InChI Key

JOEQAFTVPIOGNP-LJQANCHMSA-N

MDL Number (MFCD)

MFCD05713453

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.978

Distribution Coefficient, logD

5.978

Water Solubility, LogSw

-5.45

Polar Surface Area

33.741

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with C630-0285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C630-0285?
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What is the minimum amount of C630-0285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C630-0285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C630-0285
  • 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 C630-0285 available by request