G331-0269 Screening compound: ethyl 4-{[({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}benzoate

G331-0269 Screening compound: ethyl 4-{[({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}benzoate
G331-0269 Screening compound: ethyl 4-{[({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G331-0269
ethyl 4-{[({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}benzoate

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

G331-0269

Molecular Formula

C22H22FN3O3 (C22 H22 FN3 O3)

Compound Name

ethyl 4-{[({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}benzoate

IUPAC name

ethyl 4-{[({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}benzoate

SMILES

CCOC(c(cc1)ccc1NC(NCc1cccn1Cc(cc1)ccc1F)=O)=O

InChI

InChI=1S/C22H22FN3O3/c1-2-29-21(27)17-7-11-19(12-8-17)25-22(28)24-14-20-4-3-13-26(20)15-16-5-9-18(23)10-6-16/h3-13H,2,14-15H2,1H3,(H2,24,25,28)

InChI Key

NSCGGULTTARMSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14998239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.440

Distribution Coefficient, logD

4.440

Water Solubility, LogSw

-4.17

Polar Surface Area

56.688

Acid Dissociation Constant (pKa)

12.21

Base Dissociation Constant (pKb)

-2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with G331-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G331-0269?
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What is the minimum amount of G331-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G331-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G331-0269
  • 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 G331-0269 available by request