G418-0042 Screening compound: methyl 4-{[(4-chlorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]carbamoyl}butanoate

G418-0042 Screening compound: methyl 4-{[(4-chlorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]carbamoyl}butanoate
G418-0042 Screening compound: methyl 4-{[(4-chlorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]carbamoyl}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G418-0042
methyl 4-{[(4-chlorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]carbamoyl}butanoate

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

G418-0042

Molecular Formula

C21H20ClN3O4 (C21 H20 ClN3 O4)

Compound Name

methyl 4-{[(4-chlorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]carbamoyl}butanoate

IUPAC name

methyl 4-{[(4-chlorophenyl)(5-phenyl-134-oxadiazol-2-yl)methyl]carbamoyl}butanoate

SMILES

COC(CCCC(NC(c1nnc(-c2ccccc2)o1)c(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C21H20ClN3O4/c1-28-18(27)9-5-8-17(26)23-19(14-10-12-16(22)13-11-14)21-25-24-20(29-21)15-6-3-2-4-7-15/h2-4,6-7,10-13,19H,5,8-9H2,1H3,(H,23,26)/t19-/m1/s1

InChI Key

HTAUVTOCQVCHNS-LJQANCHMSA-N

MDL Number (MFCD)

MFCD12129719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.86

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.996

Distribution Coefficient, logD

2.996

Water Solubility, LogSw

-3.86

Polar Surface Area

74.885

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

-5.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

G418-0042 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G418-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G418-0042?
Check Price and Availability of G418-0042, 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 G418-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G418-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G418-0042
  • 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 G418-0042 available by request