C602-0202 Screening compound: ethyl 2-(6-{[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl}-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetate

C602-0202 Screening compound: ethyl 2-(6-{[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl}-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetate
C602-0202 Screening compound: ethyl 2-(6-{[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl}-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C602-0202
ethyl 2-(6-{[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl}-2-oxo-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

C602-0202

Molecular Formula

C20H21N3O8S (C20 H21 N3 O8 S)

Compound Name

ethyl 2-(6-{[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl}-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetate

IUPAC name

ethyl 2-(6-{[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl}-2-oxo-23-dihydro-13-benzoxazol-3-yl)acetate

SMILES

CCOC(CN(c(ccc(S(N(CC1)CCN1C(c1ccco1)=O)(=O)=O)c1)c1O1)C1=O)=O

InChI

InChI=1S/C20H21N3O8S/c1-2-29-18(24)13-23-15-6-5-14(12-17(15)31-20(23)26)32(27,28)22-9-7-21(8-10-22)19(25)16-4-3-11-30-16/h3-6,11-12H,2,7-10,13H2,1H3

InChI Key

PWWYZJUDSLCYGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14775079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.47

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.150

Distribution Coefficient, logD

1.150

Water Solubility, LogSw

-2.44

Polar Surface Area

100.243

Acid Dissociation Constant (pKa)

21.47

Base Dissociation Constant (pKb)

-3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

C602-0202 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C602-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C602-0202?
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What is the minimum amount of C602-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C602-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C602-0202
  • 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 C602-0202 available by request