V011-8561 Screening compound: ethyl 2-(4-methylbenzamido)-5-(6-methylhept-5-en-2-yl)thiophene-3-carboxylate

V011-8561 Screening compound: ethyl 2-(4-methylbenzamido)-5-(6-methylhept-5-en-2-yl)thiophene-3-carboxylate
V011-8561 Screening compound: ethyl 2-(4-methylbenzamido)-5-(6-methylhept-5-en-2-yl)thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-8561
ethyl 2-(4-methylbenzamido)-5-(6-methylhept-5-en-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

V011-8561

Molecular Formula

C23H29NO3S (C23 H29 NO3 S)

Compound Name

ethyl 2-(4-methylbenzamido)-5-(6-methylhept-5-en-2-yl)thiophene-3-carboxylate

IUPAC name

ethyl 2-(4-methylbenzamido)-5-[(2S)-6-methylhept-5-en-2-yl]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c2ccc(C)cc2)=O)sc(C(C)CCC=C(C)C)c1)=O

InChI

InChI=1S/C23H29NO3S/c1-6-27-23(26)19-14-20(17(5)9-7-8-15(2)3)28-22(19)24-21(25)18-12-10-16(4)11-13-18/h8,10-14,17H,6-7,9H2,1-5H3,(H,24,25)/t17-/m0/s1

InChI Key

KLCNLUPPLVDDEE-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.584

Distribution Coefficient, logD

3.924

Water Solubility, LogSw

-5.57

Polar Surface Area

43.878

Acid Dissociation Constant (pKa)

4.74

Base Dissociation Constant (pKb)

-7.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with V011-8561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-8561?
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What is the minimum amount of V011-8561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-8561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-8561
  • 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 V011-8561 available by request