C602-0097 Screening compound: ethyl 2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-yl]acetate

C602-0097 Screening compound: ethyl 2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-yl]acetate
C602-0097 Screening compound: ethyl 2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C602-0097
ethyl 2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-yl]acetate

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

C602-0097

Molecular Formula

C15H18N2O6S (C15 H18 N2 O6 S)

Compound Name

ethyl 2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-yl]acetate

IUPAC name

ethyl 2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-23-dihydro-13-benzoxazol-3-yl]acetate

SMILES

CCOC(CN(c(ccc(S(N1CCCC1)(=O)=O)c1)c1O1)C1=O)=O

InChI

InChI=1S/C15H18N2O6S/c1-2-22-14(18)10-17-12-6-5-11(9-13(12)23-15(17)19)24(20,21)16-7-3-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3

InChI Key

OKTOWNDXRVBHEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14775033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.38

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.526

Distribution Coefficient, logD

1.526

Water Solubility, LogSw

-2.56

Polar Surface Area

75.574

Acid Dissociation Constant (pKa)

21.47

Base Dissociation Constant (pKb)

-2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

References: we are preparing a list of scientific research reports with C602-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C602-0097?
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What is the minimum amount of C602-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C602-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C602-0097
  • 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 C602-0097 available by request