SA68-0814 Screening compound: 3-(3,4-dimethoxyphenyl)-1-{2-[(oxan-4-yl)[1-(propan-2-yl)piperidin-4-yl]amino]ethyl}urea

SA68-0814 Screening compound: 3-(3,4-dimethoxyphenyl)-1-{2-[(oxan-4-yl)[1-(propan-2-yl)piperidin-4-yl]amino]ethyl}urea
SA68-0814 Screening compound: 3-(3,4-dimethoxyphenyl)-1-{2-[(oxan-4-yl)[1-(propan-2-yl)piperidin-4-yl]amino]ethyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound SA68-0814
3-(3,4-dimethoxyphenyl)-1-{2-[(oxan-4-yl)[1-(propan-2-yl)piperidin-4-yl]amino]ethyl}urea

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

SA68-0814

Molecular Formula

C24H40N4O4 (C24 H40 N4 O4)

Compound Name

3-(3,4-dimethoxyphenyl)-1-{2-[(oxan-4-yl)[1-(propan-2-yl)piperidin-4-yl]amino]ethyl}urea

IUPAC name

3-(34-dimethoxyphenyl)-1-{2-[(oxan-4-yl)[1-(propan-2-yl)piperidin-4-yl]amino]ethyl}urea

SMILES

CC(C)N(CC1)CCC1N(CCNC(Nc(cc1)cc(OC)c1OC)=O)C1CCOCC1

InChI

InChI=1S/C24H40N4O4/c1-18(2)27-12-7-20(8-13-27)28(21-9-15-32-16-10-21)14-11-25-24(29)26-19-5-6-22(30-3)23(17-19)31-4/h5-6,17-18,20-21H,7-16H2,1-4H3,(H2,25,26,29)

InChI Key

WGIPQSMAMYXQAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32239272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.722

Distribution Coefficient, logD

-0.075

Water Solubility, LogSw

-3.23

Polar Surface Area

62.810

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

10.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.83

SA68-0814 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 SA68-0814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA68-0814?
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What is the minimum amount of SA68-0814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA68-0814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA68-0814
  • 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 SA68-0814 available by request