S751-0440 Screening compound: 3-[2-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]urea

S751-0440 Screening compound: 3-[2-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]urea
S751-0440 Screening compound: 3-[2-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound S751-0440
3-[2-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)ethyl]-1-[(4-fluorophenyl)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

S751-0440

Molecular Formula

C17H21FN4O (C17 H21 FN4 O)

Compound Name

3-[2-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]urea

IUPAC name

3-[2-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]urea

SMILES

Cc1cnc(C2CC2)n1CCNC(NCc(cc1)ccc1F)=O

InChI

InChI=1S/C17H21FN4O/c1-12-10-20-16(14-4-5-14)22(12)9-8-19-17(23)21-11-13-2-6-15(18)7-3-13/h2-3,6-7,10,14H,4-5,8-9,11H2,1H3,(H2,19,21,23)

InChI Key

QYTIAVLXFNSLFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31967309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.104

Distribution Coefficient, logD

-1.387

Water Solubility, LogSw

-2.59

Polar Surface Area

46.713

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

10.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.18

S751-0440 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S751-0440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S751-0440?
Check Price and Availability of S751-0440, 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 S751-0440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S751-0440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S751-0440
  • 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 S751-0440 available by request