D243-0088 Screening compound: ethyl 4-({2-[7-(tert-butyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetyl}amino)benzoate

D243-0088 Screening compound: ethyl 4-({2-[7-(tert-butyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetyl}amino)benzoate
D243-0088 Screening compound: ethyl 4-({2-[7-(tert-butyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D243-0088
ethyl 4-({2-[7-(tert-butyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetyl}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

D243-0088

Molecular Formula

C24H28N4O4S (C24 H28 N4 O4 S)

Compound Name

ethyl 4-({2-[7-(tert-butyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetyl}amino)benzoate

IUPAC name

ethyl 4-(2-{11-tert-butyl-3-oxo-8-thia-456-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-4-yl}acetamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(CN1N=Nc(sc(C2)c3CCC2C(C)(C)C)c3C1=O)=O)=O

InChI

InChI=1S/C24H28N4O4S/c1-5-32-23(31)14-6-9-16(10-7-14)25-19(29)13-28-22(30)20-17-11-8-15(24(2,3)4)12-18(17)33-21(20)26-27-28/h6-7,9-10,15H,5,8,11-13H2,1-4H3,(H,25,29)/t15-/m1/s1

InChI Key

WRRSJHGYEVPGOH-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD06638752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.693

Distribution Coefficient, logD

5.693

Water Solubility, LogSw

-5.52

Polar Surface Area

84.659

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

-1.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

References: we are preparing a list of scientific research reports with D243-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D243-0088?
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What is the minimum amount of D243-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D243-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D243-0088
  • 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 D243-0088 available by request