L934-0549 Screening compound: 3-chloro-4-methoxy-N-(5-{5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl}-1,3,4-oxadiazol-2-yl)benzamide

L934-0549 Screening compound: 3-chloro-4-methoxy-N-(5-{5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl}-1,3,4-oxadiazol-2-yl)benzamide
L934-0549 Screening compound: 3-chloro-4-methoxy-N-(5-{5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl}-1,3,4-oxadiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L934-0549
3-chloro-4-methoxy-N-(5-{5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl}-1,3,4-oxadiazol-2-yl)benzamide

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

L934-0549

Molecular Formula

C21H16ClF3N4O5 (C21 H16 ClF3 N4 O5)

Compound Name

3-chloro-4-methoxy-N-(5-{5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl}-1,3,4-oxadiazol-2-yl)benzamide

IUPAC name

3-chloro-4-methoxy-N-(5-{5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl}-134-oxadiazol-2-yl)benzamide

SMILES

COc(ccc(C(Nc1nnc(C(CC2=O)CN2c(cc2)ccc2OC(F)(F)F)o1)=O)c1)c1Cl

InChI

InChI=1S/C21H16ClF3N4O5/c1-32-16-7-2-11(8-15(16)22)18(31)26-20-28-27-19(33-20)12-9-17(30)29(10-12)13-3-5-14(6-4-13)34-21(23,24)25/h2-8,12H,9-10H2,1H3,(H,26,28,31)/t12-/m0/s1

InChI Key

BNFUVSLYUMIKSH-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD27488415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.83

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.514

Distribution Coefficient, logD

1.273

Water Solubility, LogSw

-4.24

Polar Surface Area

85.475

Acid Dissociation Constant (pKa)

5.16

Base Dissociation Constant (pKb)

-1.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

L934-0549 in Drug Discovery

Included in Screening Libraries

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

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L934-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L934-0549?
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What is the minimum amount of L934-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L934-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L934-0549
  • 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 L934-0549 available by request