1498-1710 Screening compound: 3-{[(3E)-1-benzyl-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}-1-phenylurea

1498-1710 Screening compound: 3-{[(3E)-1-benzyl-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}-1-phenylurea
1498-1710 Screening compound: 3-{[(3E)-1-benzyl-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}-1-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound 1498-1710
3-{[(3E)-1-benzyl-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}-1-phenylurea

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

1498-1710

Molecular Formula

C22H17BrN4O2 (C22 H17 BrN4 O2)

Compound Name

3-{[(3E)-1-benzyl-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}-1-phenylurea

IUPAC name

3-{[(3E)-1-benzyl-5-bromo-2-oxo-23-dihydro-1H-indol-3-ylidene]amino}-1-phenylurea

SMILES

O=C(Nc1ccccc1)N/N=C(\c(cc(cc1)Br)c1N1Cc2ccccc2)/C1=O

InChI

InChI=1S/C22H17BrN4O2/c23-16-11-12-19-18(13-16)20(21(28)27(19)14-15-7-3-1-4-8-15)25-26-22(29)24-17-9-5-2-6-10-17/h1-13H,14H2,(H2,24,26,29)

InChI Key

JCMYOHMXQLNNOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00336766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.195

Distribution Coefficient, logD

5.193

Water Solubility, LogSw

-5.34

Polar Surface Area

58.801

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

-2.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with 1498-1710 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1498-1710?
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What is the minimum amount of 1498-1710 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1498-1710
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1498-1710
  • 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 1498-1710 available by request