L537-0552 Screening compound: 5-[1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]-N-{[4-(dimethylamino)phenyl]methyl}furan-2-carboxamide

L537-0552 Screening compound: 5-[1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]-N-{[4-(dimethylamino)phenyl]methyl}furan-2-carboxamide
L537-0552 Screening compound: 5-[1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]-N-{[4-(dimethylamino)phenyl]methyl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L537-0552
5-[1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]-N-{[4-(dimethylamino)phenyl]methyl}furan-2-carboxamide

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

L537-0552

Molecular Formula

C28H29FN4O2 (C28 H29 FN4 O2)

Compound Name

5-[1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]-N-{[4-(dimethylamino)phenyl]methyl}furan-2-carboxamide

IUPAC name

5-[1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]-N-{[4-(dimethylamino)phenyl]methyl}furan-2-carboxamide

SMILES

CN(C)c1ccc(CNC(c2ccc(-c3c(-c(cc4)ccc4F)ncn3C3CCCC3)o2)=O)cc1

InChI

InChI=1S/C28H29FN4O2/c1-32(2)22-13-7-19(8-14-22)17-30-28(34)25-16-15-24(35-25)27-26(20-9-11-21(29)12-10-20)31-18-33(27)23-5-3-4-6-23/h7-16,18,23H,3-6,17H2,1-2H3,(H,30,34)

InChI Key

CQPDCPLAVYHAOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27460534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.082

Distribution Coefficient, logD

5.066

Water Solubility, LogSw

-4.90

Polar Surface Area

46.738

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

L537-0552 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with L537-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L537-0552?
Check Price and Availability of L537-0552, 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 L537-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L537-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L537-0552
  • 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 L537-0552 available by request