Screening compound: MFCD00808487

Screening compound: MFCD00808487
Screening compound: MFCD00808487 alternative view

Chemical Structure Depiction of ChemDiv screening compound
MFCD00808487

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

N016-0004

Molecular Formula

C81H131N3O25 (C81 H131 N3 O25)

Compound Name

1,5-dibutyl 2-{[10-({6-[(1,5-dibutoxy-1,5-dioxopentan-2-yl)carbamoyl]-3-({6-[(1,5-dibutoxy-1,5-dioxopentan-2-yl)carbamoyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-4,5-dihydroxyoxan-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}pentanedioate

IUPAC name

15-dibutyl 2-{[(2S4aS6aS6bR12aS)-10-({6-[(15-dibutoxy-15-dioxopentan-2-yl)carbamoyl]-3-({6-[(15-dibutoxy-15-dioxopentan-2-yl)carbamoyl]-345-trihydroxyoxan-2-yl}oxy)-45-dihydroxyoxan-2-yl}oxy)-24a6a6b9912a-heptamethyl-13-oxo-12344a566a6b788a910111212a12b1314b-icosahydropicen-2-yl]formamido}pentanedioate

SMILES

CCCCOC(CCC(C(OCCCC)=O)NC(C(C(C(C1O)O)O)OC1OC(C(C1O)O)C(OC(CC2)C(C)(C)C(CC[C@@]3(C)[C@](C)(CC[C@@](C)(CC4)C5C[C@@]4(C)C(NC(CCC(OCCCC)=O)C(OCCCC)=O)=O)C5=C4)[C@@]2(C)C3C4=O)OC1C(NC(CCC(OCCCC)=O)C(OCCCC)=O)=O)=O)=O

InChI

InChI=1S/C81H131N3O25/c1-14-20-40-100-56(86)29-26-50(70(96)103-43-23-17-4)82-68(94)64-60(90)59(89)63(93)73(107-64)109-66-62(92)61(91)65(69(95)83-51(71(97)104-44-24-18-5)27-30-57(87)101-41-21-15-2)108-74(66)106-55-33-34-79(11)54(76(55,7)8)32-35-81(13)67(79)53(85)46-48-49-47-78(10,37-36-77(49,9)38-39-80(48,81)12)75(99)84-52(72(98)105-45-25-19-6)28-31-58(88)102-42-22-16-3/h46,49-52,54-55,59-67,73-74,89-93H,14-45,47H2,1-13H3,(H,82,94)(H,83,95)(H,84,99)/t49?,50?,51?,52?,54?,55?,59?,60?,61?,62?,63?,64?,65?,66?,67?,73?,74?,77-,78+,79+,80-,81-/m1/s1

InChI Key

QAAHAFKVIVRXCX-QZBDRXDHSA-N

MDL Number (MFCD)

MFCD00808487

MFCD00808487 in Drug Discovery

Included in Screening Libraries

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with MFCD00808487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound MFCD00808487?
Check Price and Availability of MFCD00808487, 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 MFCD00808487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for MFCD00808487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for MFCD00808487
  • 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 MFCD00808487 available by request