C630-0050 Screening compound: 4-(1-butyl-1H-1,3-benzodiazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one

C630-0050 Screening compound: 4-(1-butyl-1H-1,3-benzodiazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one
C630-0050 Screening compound: 4-(1-butyl-1H-1,3-benzodiazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C630-0050
4-(1-butyl-1H-1,3-benzodiazol-2-yl)-1-(4-ethylphenyl)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

C630-0050

Molecular Formula

C23H27N3O (C23 H27 N3 O)

Compound Name

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

IUPAC name

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

SMILES

CCCCn1c(cccc2)c2nc1C(CC1=O)CN1c1ccc(CC)cc1

InChI

InChI=1S/C23H27N3O/c1-3-5-14-25-21-9-7-6-8-20(21)24-23(25)18-15-22(27)26(16-18)19-12-10-17(4-2)11-13-19/h6-13,18H,3-5,14-16H2,1-2H3/t18-/m1/s1

InChI Key

VPMURRGKTNOQEZ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD04471710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.366

Distribution Coefficient, logD

5.366

Water Solubility, LogSw

-5.14

Polar Surface Area

26.895

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

2.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

C630-0050 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C630-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C630-0050?
Check Price and Availability of C630-0050, 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 C630-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C630-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C630-0050
  • 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 C630-0050 available by request