C630-0287 Screening compound: 1-(2-bromophenyl)-4-[1-(prop-2-yn-1-yl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one

C630-0287 Screening compound: 1-(2-bromophenyl)-4-[1-(prop-2-yn-1-yl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one
C630-0287 Screening compound: 1-(2-bromophenyl)-4-[1-(prop-2-yn-1-yl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C630-0287
1-(2-bromophenyl)-4-[1-(prop-2-yn-1-yl)-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

C630-0287

Molecular Formula

C20H16BrN3O (C20 H16 BrN3 O)

Compound Name

1-(2-bromophenyl)-4-[1-(prop-2-yn-1-yl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one

IUPAC name

1-(2-bromophenyl)-4-[1-(prop-2-yn-1-yl)-1H-13-benzodiazol-2-yl]pyrrolidin-2-one

SMILES

C#CCn1c(cccc2)c2nc1C(CC1=O)CN1c(cccc1)c1Br

InChI

InChI=1S/C20H16BrN3O/c1-2-11-23-18-10-6-4-8-16(18)22-20(23)14-12-19(25)24(13-14)17-9-5-3-7-15(17)21/h1,3-10,14H,11-13H2/t14-/m1/s1

InChI Key

KFAIRRMYSRRRHG-CQSZACIVSA-N

MDL Number (MFCD)

MFCD05897986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.27

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.154

Distribution Coefficient, logD

4.154

Water Solubility, LogSw

-4.41

Polar Surface Area

26.594

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

2.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

C630-0287 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C630-0287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C630-0287?
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What is the minimum amount of C630-0287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C630-0287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C630-0287
  • 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 C630-0287 available by request