D347-1999 Screening compound: 4-(1-butyl-1H-1,3-benzodiazol-2-yl)-1-(2,6-dimethylphenyl)pyrrolidin-2-one

D347-1999 Screening compound: 4-(1-butyl-1H-1,3-benzodiazol-2-yl)-1-(2,6-dimethylphenyl)pyrrolidin-2-one
D347-1999 Screening compound: 4-(1-butyl-1H-1,3-benzodiazol-2-yl)-1-(2,6-dimethylphenyl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-1999
4-(1-butyl-1H-1,3-benzodiazol-2-yl)-1-(2,6-dimethylphenyl)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

D347-1999

Molecular Formula

C23H27N3O (C23 H27 N3 O)

Compound Name

4-(1-butyl-1H-1,3-benzodiazol-2-yl)-1-(2,6-dimethylphenyl)pyrrolidin-2-one

IUPAC name

4-(1-butyl-1H-13-benzodiazol-2-yl)-1-(26-dimethylphenyl)pyrrolidin-2-one

SMILES

CCCCn1c(cccc2)c2nc1C(CC1=O)CN1c1c(C)cccc1C

InChI

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

InChI Key

IRRDZVRPQYGKLC-GOSISDBHSA-N

MDL Number (MFCD)

MFCD09983334

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

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.129

Distribution Coefficient, logD

5.129

Water Solubility, LogSw

-4.84

Polar Surface Area

26.293

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

2.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with D347-1999 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-1999?
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What is the minimum amount of D347-1999 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-1999
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-1999
  • 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 D347-1999 available by request