D347-2200 Screening compound: 4-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-(2-methoxyphenyl)pyrrolidin-2-one

D347-2200 Screening compound: 4-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-(2-methoxyphenyl)pyrrolidin-2-one
D347-2200 Screening compound: 4-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-(2-methoxyphenyl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-2200
4-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-(2-methoxyphenyl)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

D347-2200

Molecular Formula

C25H21ClFN3O2 (C25 H21 ClFN3 O2)

Compound Name

4-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-(2-methoxyphenyl)pyrrolidin-2-one

IUPAC name

4-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-13-benzodiazol-2-yl}-1-(2-methoxyphenyl)pyrrolidin-2-one

SMILES

COc(cccc1)c1N(CC(C1)c2nc(cccc3)c3n2Cc(c(F)ccc2)c2Cl)C1=O

InChI

InChI=1S/C25H21ClFN3O2/c1-32-23-12-5-4-11-22(23)29-14-16(13-24(29)31)25-28-20-9-2-3-10-21(20)30(25)15-17-18(26)7-6-8-19(17)27/h2-12,16H,13-15H2,1H3/t16-/m0/s1

InChI Key

YMJRHCCWXVGTOA-INIZCTEOSA-N

MDL Number (MFCD)

MFCD04164258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.91

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.143

Distribution Coefficient, logD

5.143

Water Solubility, LogSw

-5.54

Polar Surface Area

33.975

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

2.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with D347-2200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-2200?
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What is the minimum amount of D347-2200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-2200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-2200
  • 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 D347-2200 available by request