L690-0544 Screening compound: methyl 4-(2-{3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}acetamido)benzoate

L690-0544 Screening compound: methyl 4-(2-{3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}acetamido)benzoate
L690-0544 Screening compound: methyl 4-(2-{3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L690-0544
methyl 4-(2-{3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}acetamido)benzoate

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

L690-0544

Molecular Formula

C26H22N6O5 (C26 H22 N6 O5)

Compound Name

methyl 4-(2-{3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}acetamido)benzoate

IUPAC name

methyl 4-(2-{3-[(3-cyclopropyl-124-oxadiazol-5-yl)methyl]-4-oxo-3H4H5H-pyrimido[54-b]indol-5-yl}acetamido)benzoate

SMILES

COC(c(cc1)ccc1NC(Cn(c1c2cccc1)c1c2N=CN(Cc2nc(C3CC3)no2)C1=O)=O)=O

InChI

InChI=1S/C26H22N6O5/c1-36-26(35)16-8-10-17(11-9-16)28-20(33)12-32-19-5-3-2-4-18(19)22-23(32)25(34)31(14-27-22)13-21-29-24(30-37-21)15-6-7-15/h2-5,8-11,14-15H,6-7,12-13H2,1H3,(H,28,33)

InChI Key

JMILLVSKNPGDAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27469737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.594

Distribution Coefficient, logD

3.594

Water Solubility, LogSw

-3.70

Polar Surface Area

101.118

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

L690-0544 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L690-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L690-0544?
Check Price and Availability of L690-0544, 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 L690-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L690-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L690-0544
  • 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 L690-0544 available by request