6313-0064 Screening compound: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(2-oxo-1,3-benzoxazol-3(2H)-yl)acetamide

6313-0064 Screening compound: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(2-oxo-1,3-benzoxazol-3(2H)-yl)acetamide
6313-0064 Screening compound: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(2-oxo-1,3-benzoxazol-3(2H)-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6313-0064
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(2-oxo-1,3-benzoxazol-3(2H)-yl)acetamide

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

6313-0064

Molecular Formula

C18H15N3O3S (C18 H15 N3 O3 S)

Compound Name

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(2-oxo-1,3-benzoxazol-3(2H)-yl)acetamide

IUPAC name

N-(3-cyano-4567-tetrahydro-1-benzothiophen-2-yl)-2-(2-oxo-23-dihydro-13-benzoxazol-3-yl)acetamide

SMILES

N#Cc1c(NC(CN(c(cccc2)c2O2)C2=O)=O)sc2c1CCCC2

InChI

InChI=1S/C18H15N3O3S/c19-9-12-11-5-1-4-8-15(11)25-17(12)20-16(22)10-21-13-6-2-3-7-14(13)24-18(21)23/h2-3,6-7H,1,4-5,8,10H2,(H,20,22)

InChI Key

VEQFWHCTRYDIFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04215717

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.234

Distribution Coefficient, logD

2.160

Water Solubility, LogSw

-3.83

Polar Surface Area

62.988

Acid Dissociation Constant (pKa)

6.36

Base Dissociation Constant (pKb)

-3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with 6313-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6313-0064?
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What is the minimum amount of 6313-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6313-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6313-0064
  • 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 6313-0064 available by request