4488-1918 Screening compound: N-[6-tert-butyl-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-fluorobenzamide

4488-1918 Screening compound: N-[6-tert-butyl-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-fluorobenzamide
4488-1918 Screening compound: N-[6-tert-butyl-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4488-1918
N-[6-tert-butyl-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-fluorobenzamide

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

4488-1918

Molecular Formula

C24H29FN2O3S (C24 H29 FN2 O3 S)

Compound Name

N-[6-tert-butyl-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-fluorobenzamide

IUPAC name

N-[6-tert-butyl-3-(morpholine-4-carbonyl)-4567-tetrahydro-1-benzothiophen-2-yl]-4-fluorobenzamide

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(N1CCOCC1)=O)c(NC(c(cc1)ccc1F)=O)s2

InChI

InChI=1S/C24H29FN2O3S/c1-24(2,3)16-6-9-18-19(14-16)31-22(20(18)23(29)27-10-12-30-13-11-27)26-21(28)15-4-7-17(25)8-5-15/h4-5,7-8,16H,6,9-14H2,1-3H3,(H,26,28)/t16-/m1/s1

InChI Key

COXZIDIKOPGBHC-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD02918678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.618

Distribution Coefficient, logD

1.039

Water Solubility, LogSw

-4.47

Polar Surface Area

47.601

Acid Dissociation Constant (pKa)

3.82

Base Dissociation Constant (pKb)

-4.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

4488-1918 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4488-1918 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4488-1918?
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What is the minimum amount of 4488-1918 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4488-1918
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4488-1918
  • 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 4488-1918 available by request