Screening compound: InChI=1S/C16H14BrNO5S/c1-11(19)18(14-5-7-15(8-6-14)23-12(2)20)24(21,22)16-9-3-13(17)4-10-16/h3-10H,1-2H3

Screening compound: InChI=1S/C16H14BrNO5S/c1-11(19)18(14-5-7-15(8-6-14)23-12(2)20)24(21,22)16-9-3-13(17)4-10-16/h3-10H,1-2H3
Screening compound: InChI=1S/C16H14BrNO5S/c1-11(19)18(14-5-7-15(8-6-14)23-12(2)20)24(21,22)16-9-3-13(17)4-10-16/h3-10H,1-2H3 alternative view

Chemical Structure Depiction of ChemDiv screening compound
InChI=1S/C16H14BrNO5S/c1-11(19)18(14-5-7-15(8-6-14)23-12(2)20)24(21,22)16-9-3-13(17)4-10-16/h3-10H,1-2H3

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

8018-7311

Molecular Formula

C16H14BrNO5S (C16 H14 BrNO5 S)

Compound Name

4-[N-(4-bromobenzenesulfonyl)acetamido]phenyl acetate

IUPAC name

4-[N-(4-bromobenzenesulfonyl)acetamido]phenyl acetate

SMILES

CC(N(c(cc1)ccc1OC(C)=O)S(c(cc1)ccc1Br)(=O)=O)=O

InChI

InChI=1S/C16H14BrNO5S/c1-11(19)18(14-5-7-15(8-6-14)23-12(2)20)24(21,22)16-9-3-13(17)4-10-16/h3-10H,1-2H3

InChI Key

PLOQUGMHQQPYLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03472352

InChI=1S/C16H14BrNO5S/c1-11(19)18(14-5-7-15(8-6-14)23-12(2)20)24(21,22)16-9-3-13(17)4-10-16/h3-10H,1-2H3 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with InChI=1S/C16H14BrNO5S/c1-11(19)18(14-5-7-15(8-6-14)23-12(2)20)24(21,22)16-9-3-13(17)4-10-16/h3-10H,1-2H3 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for InChI=1S/C16H14BrNO5S/c1-11(19)18(14-5-7-15(8-6-14)23-12(2)20)24(21,22)16-9-3-13(17)4-10-16/h3-10H,1-2H3
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for InChI=1S/C16H14BrNO5S/c1-11(19)18(14-5-7-15(8-6-14)23-12(2)20)24(21,22)16-9-3-13(17)4-10-16/h3-10H,1-2H3
  • 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 InChI=1S/C16H14BrNO5S/c1-11(19)18(14-5-7-15(8-6-14)23-12(2)20)24(21,22)16-9-3-13(17)4-10-16/h3-10H,1-2H3 available by request