Screening compound: MFCD02239158

Screening compound: MFCD02239158
Screening compound: MFCD02239158 alternative view

Chemical Structure Depiction of ChemDiv screening compound
MFCD02239158

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

8011-9875

Molecular Formula

C31H30N4O5S (C31 H30 N4 O5 S)

Compound Name

ethyl 4-({[3,3-dimethyl-11-(3-nitrophenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]carbothioyl}amino)benzoate

IUPAC name

ethyl 4-{[1414-dimethyl-10-(3-nitrophenyl)-12-oxo-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraene-9-carbothioyl]amino}benzoate

SMILES

CCOC(c(cc1)ccc1NC(N(C1c2cc([N+]([O-])=O)ccc2)c(cccc2)c2NC(CC(C)(C)C2)=C1C2=O)=S)=O

InChI

InChI=1S/C31H30N4O5S/c1-4-40-29(37)19-12-14-21(15-13-19)32-30(41)34-25-11-6-5-10-23(25)33-24-17-31(2,3)18-26(36)27(24)28(34)20-8-7-9-22(16-20)35(38)39/h5-16,28,33H,4,17-18H2,1-3H3,(H,32,41)/t28-/m0/s1

InChI Key

CTAARYAPYSNMQN-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD02239158

MFCD02239158 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with MFCD02239158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound MFCD02239158?
Check Price and Availability of MFCD02239158, 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 MFCD02239158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for MFCD02239158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for MFCD02239158
  • 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 MFCD02239158 available by request