D243-0257 Screening compound: cyclopentyl 2-[7-(tert-butyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetate

D243-0257 Screening compound: cyclopentyl 2-[7-(tert-butyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetate
D243-0257 Screening compound: cyclopentyl 2-[7-(tert-butyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D243-0257
cyclopentyl 2-[7-(tert-butyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetate

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

D243-0257

Molecular Formula

C20H27N3O3S (C20 H27 N3 O3 S)

Compound Name

cyclopentyl 2-[7-(tert-butyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetate

IUPAC name

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

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(N(CC(OC1CCCC1)=O)N=N1)=O)c1s2

InChI

InChI=1S/C20H27N3O3S/c1-20(2,3)12-8-9-14-15(10-12)27-18-17(14)19(25)23(22-21-18)11-16(24)26-13-6-4-5-7-13/h12-13H,4-11H2,1-3H3/t12-/m1/s1

InChI Key

DACOOSNKAIYVIV-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD08143385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.608

Distribution Coefficient, logD

4.608

Water Solubility, LogSw

-4.46

Polar Surface Area

60.882

Acid Dissociation Constant (pKa)

19.11

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.00

References: we are preparing a list of scientific research reports with D243-0257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D243-0257?
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What is the minimum amount of D243-0257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D243-0257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D243-0257
  • 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 D243-0257 available by request