C989-0287 Screening compound: 2-[6-(azepane-1-sulfonyl)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]-N-tert-butylacetamide

C989-0287 Screening compound: 2-[6-(azepane-1-sulfonyl)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]-N-tert-butylacetamide
C989-0287 Screening compound: 2-[6-(azepane-1-sulfonyl)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]-N-tert-butylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C989-0287
2-[6-(azepane-1-sulfonyl)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]-N-tert-butylacetamide

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

C989-0287

Molecular Formula

C19H27N3O5S (C19 H27 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C19H27N3O5S/c1-19(2,3)20-17(23)13-22-15-9-8-14(12-16(15)27-18(22)24)28(25,26)21-10-6-4-5-7-11-21/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,20,23)

InChI Key

QFPPNODYANSMIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14809335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.51

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

2.737

Distribution Coefficient, logD

2.736

Water Solubility, LogSw

-3.47

Polar Surface Area

78.676

Acid Dissociation Constant (pKa)

15.33

Base Dissociation Constant (pKb)

3.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

References: we are preparing a list of scientific research reports with C989-0287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C989-0287?
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What is the minimum amount of C989-0287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C989-0287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C989-0287
  • 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 C989-0287 available by request