C800-0771 Screening compound: 3-({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-phenylurea

C800-0771 Screening compound: 3-({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-phenylurea
C800-0771 Screening compound: 3-({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-0771
3-({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-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

C800-0771

Molecular Formula

C19H18FN3O (C19 H18 FN3 O)

Compound Name

3-({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-phenylurea

IUPAC name

3-({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-phenylurea

SMILES

O=C(NCc1cccn1Cc(cc1)ccc1F)Nc1ccccc1

InChI

InChI=1S/C19H18FN3O/c20-16-10-8-15(9-11-16)14-23-12-4-7-18(23)13-21-19(24)22-17-5-2-1-3-6-17/h1-12H,13-14H2,(H2,21,22,24)

InChI Key

KLJSSQAOHNGKOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.647

Distribution Coefficient, logD

3.647

Water Solubility, LogSw

-3.85

Polar Surface Area

35.934

Acid Dissociation Constant (pKa)

13.90

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with C800-0771 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-0771?
Check Price and Availability of C800-0771, 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 C800-0771 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-0771
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-0771
  • 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 C800-0771 available by request