2159-1388 Screening compound: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

2159-1388 Screening compound: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
2159-1388 Screening compound: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2159-1388
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

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

2159-1388

Molecular Formula

C20H18ClN3O3S (C20 H18 ClN3 O3 S)

Compound Name

N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

IUPAC name

N-(3-carbamoyl-4567-tetrahydro-1-benzothiophen-2-yl)-3-(2-chlorophenyl)-5-methyl-12-oxazole-4-carboxamide

SMILES

Cc1c(C(Nc2c(C(N)=O)c(CCCC3)c3s2)=O)c(-c(cccc2)c2Cl)no1

InChI

InChI=1S/C20H18ClN3O3S/c1-10-15(17(24-27-10)11-6-2-4-8-13(11)21)19(26)23-20-16(18(22)25)12-7-3-5-9-14(12)28-20/h2,4,6,8H,3,5,7,9H2,1H3,(H2,22,25)(H,23,26)

InChI Key

CLTHMXQWOLVDHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01182875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.826

Distribution Coefficient, logD

1.106

Water Solubility, LogSw

-3.82

Polar Surface Area

79.064

Acid Dissociation Constant (pKa)

5.69

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 2159-1388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2159-1388?
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What is the minimum amount of 2159-1388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2159-1388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2159-1388
  • 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 2159-1388 available by request