V006-8144 Screening compound: ethyl 2-[2-(acetyloxy)-2-methylpropanamido]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

V006-8144 Screening compound: ethyl 2-[2-(acetyloxy)-2-methylpropanamido]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
V006-8144 Screening compound: ethyl 2-[2-(acetyloxy)-2-methylpropanamido]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-8144
ethyl 2-[2-(acetyloxy)-2-methylpropanamido]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

V006-8144

Molecular Formula

C21H31NO5S (C21 H31 NO5 S)

Compound Name

ethyl 2-[2-(acetyloxy)-2-methylpropanamido]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-[2-(acetyloxy)-2-methylpropanamido]-6-tert-butyl-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C(C)(C)OC(C)=O)=O)sc(C2)c1CCC2C(C)(C)C)=O

InChI

InChI=1S/C21H31NO5S/c1-8-26-18(24)16-14-10-9-13(20(3,4)5)11-15(14)28-17(16)22-19(25)21(6,7)27-12(2)23/h13H,8-11H2,1-7H3,(H,22,25)/t13-/m1/s1

InChI Key

SCTZHDPERZDDPR-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD19957397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.496

Distribution Coefficient, logD

1.895

Water Solubility, LogSw

-4.37

Polar Surface Area

64.021

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

-4.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

References: we are preparing a list of scientific research reports with V006-8144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-8144?
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What is the minimum amount of V006-8144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-8144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-8144
  • 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 V006-8144 available by request