F036-0070 Screening compound: 2-bromo-N-[(E)-N'-(3,5-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]benzamide

F036-0070 Screening compound: 2-bromo-N-[(E)-N'-(3,5-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]benzamide
F036-0070 Screening compound: 2-bromo-N-[(E)-N'-(3,5-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F036-0070
2-bromo-N-[(E)-N'-(3,5-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]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

F036-0070

Molecular Formula

C26H25BrN4O (C26 H25 BrN4 O)

Compound Name

2-bromo-N-[(E)-N'-(3,5-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]benzamide

IUPAC name

2-bromo-N-[(E)-N'-(35-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]benzamide

SMILES

Cc1cc(/N=C(\NCCc2c[nH]c3c2cccc3)/NC(c(cccc2)c2Br)=O)cc(C)c1

InChI

InChI=1S/C26H25BrN4O/c1-17-13-18(2)15-20(14-17)30-26(31-25(32)22-8-3-5-9-23(22)27)28-12-11-19-16-29-24-10-6-4-7-21(19)24/h3-10,13-16,29H,11-12H2,1-2H3,(H2,28,30,31,32)

InChI Key

KAQWOBKYPQCNMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14937475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.791

Distribution Coefficient, logD

5.368

Water Solubility, LogSw

-5.69

Polar Surface Area

51.564

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

F036-0070 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F036-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F036-0070?
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What is the minimum amount of F036-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F036-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F036-0070
  • 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 F036-0070 available by request