G331-0232 Screening compound: methyl 3-{[({1-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}benzoate

G331-0232 Screening compound: methyl 3-{[({1-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}benzoate
G331-0232 Screening compound: methyl 3-{[({1-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G331-0232
methyl 3-{[({1-[(3-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

G331-0232

Molecular Formula

C21H20FN3O3 (C21 H20 FN3 O3)

Compound Name

methyl 3-{[({1-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}benzoate

IUPAC name

methyl 3-{[({1-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}benzoate

SMILES

COC(c1cccc(NC(NCc2cccn2Cc2cccc(F)c2)=O)c1)=O

InChI

InChI=1S/C21H20FN3O3/c1-28-20(26)16-6-3-8-18(12-16)24-21(27)23-13-19-9-4-10-25(19)14-15-5-2-7-17(22)11-15/h2-12H,13-14H2,1H3,(H2,23,24,27)

InChI Key

UJROBWMTPXUVAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14998220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.203

Distribution Coefficient, logD

4.203

Water Solubility, LogSw

-4.41

Polar Surface Area

57.108

Acid Dissociation Constant (pKa)

13.33

Base Dissociation Constant (pKb)

-2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with G331-0232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G331-0232?
Check Price and Availability of G331-0232, 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 G331-0232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G331-0232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G331-0232
  • 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 G331-0232 available by request