C630-0153 Screening compound: 4-(1H-1,3-benzodiazol-2-yl)-1-(4-bromophenyl)pyrrolidin-2-one

C630-0153 Screening compound: 4-(1H-1,3-benzodiazol-2-yl)-1-(4-bromophenyl)pyrrolidin-2-one
C630-0153 Screening compound: 4-(1H-1,3-benzodiazol-2-yl)-1-(4-bromophenyl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C630-0153
4-(1H-1,3-benzodiazol-2-yl)-1-(4-bromophenyl)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

C630-0153

Molecular Formula

C17H14BrN3O (C17 H14 BrN3 O)

Compound Name

4-(1H-1,3-benzodiazol-2-yl)-1-(4-bromophenyl)pyrrolidin-2-one

IUPAC name

4-(1H-13-benzodiazol-2-yl)-1-(4-bromophenyl)pyrrolidin-2-one

SMILES

O=C(CC(C1)c2nc(cccc3)c3[nH]2)N1c(cc1)ccc1Br

InChI

InChI=1S/C17H14BrN3O/c18-12-5-7-13(8-6-12)21-10-11(9-16(21)22)17-19-14-3-1-2-4-15(14)20-17/h1-8,11H,9-10H2,(H,19,20)/t11-/m1/s1

InChI Key

AJXPVJMOBKEQDM-LLVKDONJSA-N

MDL Number (MFCD)

MFCD03085147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.22

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.525

Distribution Coefficient, logD

3.525

Water Solubility, LogSw

-3.50

Polar Surface Area

36.008

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

C630-0153 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 C630-0153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C630-0153?
Check Price and Availability of C630-0153, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C630-0153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C630-0153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C630-0153
  • 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 C630-0153 available by request