E514-0432 Screening compound: N~1~-(2-ethoxyphenyl)-2-[(5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamide

E514-0432 Screening compound: N~1~-(2-ethoxyphenyl)-2-[(5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamide
E514-0432 Screening compound: N~1~-(2-ethoxyphenyl)-2-[(5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E514-0432
N~1~-(2-ethoxyphenyl)-2-[(5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamide

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

E514-0432

Molecular Formula

C21H22N4O3S (C21 H22 N4 O3 S)

Compound Name

N~1~-(2-ethoxyphenyl)-2-[(5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamide

IUPAC name

N-(2-ethoxyphenyl)-2-({12-methyl-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)37911-pentaen-9-yl}sulfanyl)butanamide

SMILES

CCC(C(Nc(cccc1)c1OCC)=O)Sc1nnc(C)n2c1cc1c2cco1

InChI

InChI=1S/C21H22N4O3S/c1-4-19(20(26)22-14-8-6-7-9-17(14)27-5-2)29-21-16-12-18-15(10-11-28-18)25(16)13(3)23-24-21/h6-12,19H,4-5H2,1-3H3,(H,22,26)/t19-/m0/s1

InChI Key

XIQWWKLFWXYSCL-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14893785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.937

Distribution Coefficient, logD

3.932

Water Solubility, LogSw

-3.90

Polar Surface Area

59.443

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

5.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with E514-0432 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E514-0432?
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What is the minimum amount of E514-0432 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E514-0432
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E514-0432
  • 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 E514-0432 available by request