E514-0138 Screening compound: ethyl 4-{[2-(furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-ylsulfanyl)butanoyl]amino}benzoate

E514-0138 Screening compound: ethyl 4-{[2-(furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-ylsulfanyl)butanoyl]amino}benzoate
E514-0138 Screening compound: ethyl 4-{[2-(furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-ylsulfanyl)butanoyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E514-0138
ethyl 4-{[2-(furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-ylsulfanyl)butanoyl]amino}benzoate

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

E514-0138

Molecular Formula

C21H20N4O4S (C21 H20 N4 O4 S)

Compound Name

ethyl 4-{[2-(furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-ylsulfanyl)butanoyl]amino}benzoate

IUPAC name

ethyl 4-(2-{5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)37911-pentaen-9-ylsulfanyl}butanamido)benzoate

SMILES

CCC(C(Nc(cc1)ccc1C(OCC)=O)=O)Sc1nncn2c1cc1c2cco1

InChI

InChI=1S/C21H20N4O4S/c1-3-18(19(26)23-14-7-5-13(6-8-14)21(27)28-4-2)30-20-16-11-17-15(9-10-29-17)25(16)12-22-24-20/h5-12,18H,3-4H2,1-2H3,(H,23,26)/t18-/m0/s1

InChI Key

KPRQZTSBZGGIOK-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14893670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.918

Distribution Coefficient, logD

3.917

Water Solubility, LogSw

-4.03

Polar Surface Area

73.513

Acid Dissociation Constant (pKa)

10.58

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

E514-0138 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E514-0138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E514-0138?
Check Price and Availability of E514-0138, 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 E514-0138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E514-0138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E514-0138
  • 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 E514-0138 available by request