Screening compound: C91H114N6O24 (N016-0018)

Screening compound: C<sub>91</sub>H<sub>114</sub>N<sub>6</sub>O<sub>24</sub> (N016-0018)
Screening compound: C<sub>91</sub>H<sub>114</sub>N<sub>6</sub>O<sub>24</sub> (N016-0018) alternative view

Chemical Structure Depiction of ChemDiv screening compound
C91H114N6O24 (N016-0018)

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

N016-0018

Molecular Formula

C91H114N6O24 (C91 H114 N6 O24)

Compound Name

ethyl 2-[(10-{[4,5-bis(acetyloxy)-6-{[1-ethoxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl}-3-{[3,4,5-tris(acetyloxy)-6-{[1-ethoxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl}oxan-2-yl]oxy}oxan-2-yl]oxy}-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-2-yl)formamido]-3-(1H-indol-3-yl)propanoate

IUPAC name

ethyl 2-{[(2S4aS6aS6bR12aS)-10-{[45-bis(acetyloxy)-6-{[1-ethoxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl}-3-{[345-tris(acetyloxy)-6-{[1-ethoxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl}oxan-2-yl]oxy}oxan-2-yl]oxy}-24a6a6b9912a-heptamethyl-13-oxo-12344a566a6b788a910111212a12b1314b-icosahydropicen-2-yl]formamido}-3-(1H-indol-3-yl)propanoate

SMILES

CCOC(C(Cc1c[nH]c2c1cccc2)NC(C(C(C(C1OC(C(C(C2OC(C)=O)OC(C)=O)OC(C)=O)OC2C(NC(Cc2c[nH]c3c2cccc3)C(OCC)=O)=O)OC(C)=O)OC(C)=O)OC1OC(CC1)C(C)(C)C(CC[C@@]2(C)[C@](C)(CC[C@@](C)(CC3)C4C[C@@]3(C)C(NC(Cc3c[nH]c5c3cccc5)C(OCC)=O)=O)C4=C3)[C@@]1(C)C2C3=O)=O)=O

InChI

InChI=1S/C91H114N6O24/c1-16-110-80(106)63(39-52-44-92-60-28-22-19-25-55(52)60)95-78(104)73-70(114-48(5)99)72(116-50(7)101)76(121-84-75(117-51(8)102)71(115-49(6)100)69(113-47(4)98)74(120-84)79(105)96-64(81(107)111-17-2)40-53-45-93-61-29-23-20-26-56(53)61)83(119-73)118-68-32-33-89(13)67(86(68,9)10)31-34-91(15)77(89)66(103)42-58-59-43-88(12,36-35-87(59,11)37-38-90(58,91)14)85(109)97-65(82(108)112-18-3)41-54-46-94-62-30-24-21-27-57(54)62/h19-30,42,44-46,59,63-65,67-77,83-84,92-94H,16-18,31-41,43H2,1-15H3,(H,95,104)(H,96,105)(H,97,109)/t59?,63?,64?,65?,67?,68?,69?,70?,71?,72?,73?,74?,75?,76?,77?,83?,84?,87-,88+,89+,90-,91-/m1/s1

InChI Key

BBELBBMAOHCYGR-XBUBHNLHSA-N

MDL Number (MFCD)

MFCD00808493

C91H114N6O24 (N016-0018) in Drug Discovery

Included in Screening Libraries

Natural Compounds Library (353 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C91H114N6O24 (N016-0018) chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C91H114N6O24 (N016-0018)?
Check Price and Availability of C91H114N6O24 (N016-0018), then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C91H114N6O24 (N016-0018) you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C91H114N6O24 (N016-0018)
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C91H114N6O24 (N016-0018)
  • 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 C91H114N6O24 (N016-0018) available by request