D169-0437 Screening compound: 3-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(2-methoxyphenyl)-3-methylurea

D169-0437 Screening compound: 3-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(2-methoxyphenyl)-3-methylurea
D169-0437 Screening compound: 3-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(2-methoxyphenyl)-3-methylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound D169-0437
3-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(2-methoxyphenyl)-3-methylurea

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

D169-0437

Molecular Formula

C20H22N4O5 (C20 H22 N4 O5)

Compound Name

3-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(2-methoxyphenyl)-3-methylurea

IUPAC name

3-{[3-(34-dimethoxyphenyl)-124-oxadiazol-5-yl]methyl}-1-(2-methoxyphenyl)-3-methylurea

SMILES

CN(Cc1nc(-c(cc2)cc(OC)c2OC)no1)C(Nc(cccc1)c1OC)=O

InChI

InChI=1S/C20H22N4O5/c1-24(20(25)21-14-7-5-6-8-15(14)26-2)12-18-22-19(23-29-18)13-9-10-16(27-3)17(11-13)28-4/h5-11H,12H2,1-4H3,(H,21,25)

InChI Key

ZLEPWUDTVBMEKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06753404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.320

Distribution Coefficient, logD

3.320

Water Solubility, LogSw

-3.66

Polar Surface Area

78.746

Acid Dissociation Constant (pKa)

12.19

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D169-0437 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D169-0437 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D169-0437?
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What is the minimum amount of D169-0437 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D169-0437
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D169-0437
  • 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 D169-0437 available by request