G786-0753 Screening compound: 1-(4-chlorophenyl)-3-(4-fluorophenyl)-3-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methyl)urea

G786-0753 Screening compound: 1-(4-chlorophenyl)-3-(4-fluorophenyl)-3-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methyl)urea
G786-0753 Screening compound: 1-(4-chlorophenyl)-3-(4-fluorophenyl)-3-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0753
1-(4-chlorophenyl)-3-(4-fluorophenyl)-3-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methyl)urea

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

G786-0753

Molecular Formula

C21H21ClFN5O (C21 H21 ClFN5 O)

Compound Name

1-(4-chlorophenyl)-3-(4-fluorophenyl)-3-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methyl)urea

IUPAC name

1-(4-chlorophenyl)-3-(4-fluorophenyl)-3-({5H6H7H8H9H-[124]triazolo[43-a]azepin-3-yl}methyl)urea

SMILES

O=C(Nc(cc1)ccc1Cl)N(Cc1nnc2n1CCCCC2)c(cc1)ccc1F

InChI

InChI=1S/C21H21ClFN5O/c22-15-5-9-17(10-6-15)24-21(29)28(18-11-7-16(23)8-12-18)14-20-26-25-19-4-2-1-3-13-27(19)20/h5-12H,1-4,13-14H2,(H,24,29)

InChI Key

OFDFMDKFUMZCOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06747879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.993

Distribution Coefficient, logD

3.993

Water Solubility, LogSw

-4.48

Polar Surface Area

50.682

Acid Dissociation Constant (pKa)

12.10

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

G786-0753 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G786-0753 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0753?
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What is the minimum amount of G786-0753 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0753
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0753
  • 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 G786-0753 available by request