C989-0290 Screening compound: 2-[6-(azepane-1-sulfonyl)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]-N-cycloheptylacetamide

C989-0290 Screening compound: 2-[6-(azepane-1-sulfonyl)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]-N-cycloheptylacetamide
C989-0290 Screening compound: 2-[6-(azepane-1-sulfonyl)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]-N-cycloheptylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C989-0290
2-[6-(azepane-1-sulfonyl)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]-N-cycloheptylacetamide

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

C989-0290

Molecular Formula

C22H31N3O5S (C22 H31 N3 O5 S)

Compound Name

2-[6-(azepane-1-sulfonyl)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]-N-cycloheptylacetamide

IUPAC name

2-[6-(azepane-1-sulfonyl)-2-oxo-23-dihydro-13-benzoxazol-3-yl]-N-cycloheptylacetamide

SMILES

O=C(CN(c(ccc(S(N1CCCCCC1)(=O)=O)c1)c1O1)C1=O)NC1CCCCCC1

InChI

InChI=1S/C22H31N3O5S/c26-21(23-17-9-5-1-2-6-10-17)16-25-19-12-11-18(15-20(19)30-22(25)27)31(28,29)24-13-7-3-4-8-14-24/h11-12,15,17H,1-10,13-14,16H2,(H,23,26)

InChI Key

VSTXXRBSPCOGIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14809336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.621

Distribution Coefficient, logD

3.621

Water Solubility, LogSw

-3.95

Polar Surface Area

79.637

Acid Dissociation Constant (pKa)

15.08

Base Dissociation Constant (pKb)

2.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.60

References: we are preparing a list of scientific research reports with C989-0290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C989-0290?
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What is the minimum amount of C989-0290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C989-0290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C989-0290
  • 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 C989-0290 available by request