V006-0318 Screening compound: ethyl 2-[2-(benzyloxy)acetamido]-5-(4,4-dimethylpentan-2-yl)thiophene-3-carboxylate

V006-0318 Screening compound: ethyl 2-[2-(benzyloxy)acetamido]-5-(4,4-dimethylpentan-2-yl)thiophene-3-carboxylate
V006-0318 Screening compound: ethyl 2-[2-(benzyloxy)acetamido]-5-(4,4-dimethylpentan-2-yl)thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-0318
ethyl 2-[2-(benzyloxy)acetamido]-5-(4,4-dimethylpentan-2-yl)thiophene-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

V006-0318

Molecular Formula

C23H31NO4S (C23 H31 NO4 S)

Compound Name

ethyl 2-[2-(benzyloxy)acetamido]-5-(4,4-dimethylpentan-2-yl)thiophene-3-carboxylate

IUPAC name

ethyl 2-[2-(benzyloxy)acetamido]-5-(44-dimethylpentan-2-yl)thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(COCc2ccccc2)=O)sc(C(C)CC(C)(C)C)c1)=O

InChI

InChI=1S/C23H31NO4S/c1-6-28-22(26)18-12-19(16(2)13-23(3,4)5)29-21(18)24-20(25)15-27-14-17-10-8-7-9-11-17/h7-12,16H,6,13-15H2,1-5H3,(H,24,25)/t16-/m0/s1

InChI Key

RCDHWJIESAOGSW-INIZCTEOSA-N

MDL Number (MFCD)

MFCD19957220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.628

Distribution Coefficient, logD

3.679

Water Solubility, LogSw

-5.49

Polar Surface Area

52.099

Acid Dissociation Constant (pKa)

5.46

Base Dissociation Constant (pKb)

-5.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

V006-0318 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V006-0318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-0318?
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What is the minimum amount of V006-0318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-0318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-0318
  • 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 V006-0318 available by request