F036-0834 Screening compound: 4-(2,5-dimethyl-1H-pyrrol-1-yl)-N-[(E)-N-[2-(1H-indol-3-yl)ethyl]-N'-(3-methylphenyl)carbamimidoyl]benzamide

F036-0834 Screening compound: 4-(2,5-dimethyl-1H-pyrrol-1-yl)-N-[(E)-N-[2-(1H-indol-3-yl)ethyl]-N'-(3-methylphenyl)carbamimidoyl]benzamide
F036-0834 Screening compound: 4-(2,5-dimethyl-1H-pyrrol-1-yl)-N-[(E)-N-[2-(1H-indol-3-yl)ethyl]-N'-(3-methylphenyl)carbamimidoyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F036-0834
4-(2,5-dimethyl-1H-pyrrol-1-yl)-N-[(E)-N-[2-(1H-indol-3-yl)ethyl]-N'-(3-methylphenyl)carbamimidoyl]benzamide

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

F036-0834

Molecular Formula

C31H31N5O (C31 H31 N5 O)

Compound Name

4-(2,5-dimethyl-1H-pyrrol-1-yl)-N-[(E)-N-[2-(1H-indol-3-yl)ethyl]-N'-(3-methylphenyl)carbamimidoyl]benzamide

IUPAC name

4-(25-dimethyl-1H-pyrrol-1-yl)-N-[(E)-N-[2-(1H-indol-3-yl)ethyl]-N'-(3-methylphenyl)carbamimidoyl]benzamide

SMILES

Cc1ccc(C)n1-c(cc1)ccc1C(N/C(/NCCc1c[nH]c2c1cccc2)=N/c1cc(C)ccc1)=O

InChI

InChI=1S/C31H31N5O/c1-21-7-6-8-26(19-21)34-31(32-18-17-25-20-33-29-10-5-4-9-28(25)29)35-30(37)24-13-15-27(16-14-24)36-22(2)11-12-23(36)3/h4-16,19-20,33H,17-18H2,1-3H3,(H2,32,34,35,37)

InChI Key

HJWQKBAJXQDRJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14937604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.62

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.935

Distribution Coefficient, logD

5.552

Water Solubility, LogSw

-5.75

Polar Surface Area

54.453

Acid Dissociation Constant (pKa)

10.80

Base Dissociation Constant (pKb)

7.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.10

References: we are preparing a list of scientific research reports with F036-0834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F036-0834?
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What is the minimum amount of F036-0834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F036-0834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F036-0834
  • 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 F036-0834 available by request