D011-4816 Screening compound: 1-(4-methoxyphenyl)-4-(5-methyl-1H-1,3-benzodiazol-2-yl)pyrrolidin-2-one

D011-4816 Screening compound: 1-(4-methoxyphenyl)-4-(5-methyl-1H-1,3-benzodiazol-2-yl)pyrrolidin-2-one
D011-4816 Screening compound: 1-(4-methoxyphenyl)-4-(5-methyl-1H-1,3-benzodiazol-2-yl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-4816
1-(4-methoxyphenyl)-4-(5-methyl-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

D011-4816

Molecular Formula

C19H19N3O2 (C19 H19 N3 O2)

Compound Name

1-(4-methoxyphenyl)-4-(5-methyl-1H-1,3-benzodiazol-2-yl)pyrrolidin-2-one

IUPAC name

1-(4-methoxyphenyl)-4-(5-methyl-1H-13-benzodiazol-2-yl)pyrrolidin-2-one

SMILES

Cc(cc1)cc2c1[nH]c(C(CC1=O)CN1c(cc1)ccc1OC)n2

InChI

InChI=1S/C19H19N3O2/c1-12-3-8-16-17(9-12)21-19(20-16)13-10-18(23)22(11-13)14-4-6-15(24-2)7-5-14/h3-9,13H,10-11H2,1-2H3,(H,20,21)/t13-/m1/s1

InChI Key

CIDLANNEWKSGLF-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD06312146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.133

Distribution Coefficient, logD

3.133

Water Solubility, LogSw

-3.17

Polar Surface Area

43.552

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

D011-4816 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 D011-4816 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-4816?
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What is the minimum amount of D011-4816 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-4816
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-4816
  • 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 D011-4816 available by request