3483-0199 Screening compound: ethyl 2-cyclohexyl-2-{[4-(diethylamino)phenyl]carbamoyl}acetate

3483-0199 Screening compound: ethyl 2-cyclohexyl-2-{[4-(diethylamino)phenyl]carbamoyl}acetate
3483-0199 Screening compound: ethyl 2-cyclohexyl-2-{[4-(diethylamino)phenyl]carbamoyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3483-0199
ethyl 2-cyclohexyl-2-{[4-(diethylamino)phenyl]carbamoyl}acetate

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

3483-0199

Molecular Formula

C21H32N2O3 (C21 H32 N2 O3)

Compound Name

ethyl 2-cyclohexyl-2-{[4-(diethylamino)phenyl]carbamoyl}acetate

IUPAC name

ethyl 2-cyclohexyl-2-{[4-(diethylamino)phenyl]carbamoyl}acetate

SMILES

CCN(CC)c(cc1)ccc1NC(C(C1CCCCC1)C(OCC)=O)=O

InChI

InChI=1S/C21H32N2O3/c1-4-23(5-2)18-14-12-17(13-15-18)22-20(24)19(21(25)26-6-3)16-10-8-7-9-11-16/h12-16,19H,4-11H2,1-3H3,(H,22,24)/t19-/m0/s1

InChI Key

KRAGVRAMYSMIIC-IBGZPJMESA-N

MDL Number (MFCD)

MFCD00578214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.371

Distribution Coefficient, logD

4.178

Water Solubility, LogSw

-4.11

Polar Surface Area

47.012

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

3483-0199 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3483-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3483-0199?
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What is the minimum amount of 3483-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3483-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3483-0199
  • 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 3483-0199 available by request