D169-0442 Screening compound: 1-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-methyl-3-propylurea

D169-0442 Screening compound: 1-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-methyl-3-propylurea
D169-0442 Screening compound: 1-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-methyl-3-propylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound D169-0442
1-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-methyl-3-propylurea

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

D169-0442

Molecular Formula

C16H22N4O4 (C16 H22 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCCNC(N(C)Cc1nc(-c(cc2)cc(OC)c2OC)no1)=O

InChI

InChI=1S/C16H22N4O4/c1-5-8-17-16(21)20(2)10-14-18-15(19-24-14)11-6-7-12(22-3)13(9-11)23-4/h6-7,9H,5,8,10H2,1-4H3,(H,17,21)

InChI Key

XMMFYNYNOKEMOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06753406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.582

Distribution Coefficient, logD

2.582

Water Solubility, LogSw

-3.05

Polar Surface Area

73.249

Acid Dissociation Constant (pKa)

16.63

Base Dissociation Constant (pKb)

2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

D169-0442 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D169-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D169-0442?
Check Price and Availability of D169-0442, 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 D169-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D169-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D169-0442
  • 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 D169-0442 available by request