V002-9580 Screening compound: ethyl 3-[({benzyl[(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)(propyl)carbamoyl]propanoate

V002-9580 Screening compound: ethyl 3-[({benzyl[(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)(propyl)carbamoyl]propanoate
V002-9580 Screening compound: ethyl 3-[({benzyl[(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)(propyl)carbamoyl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-9580
ethyl 3-[({benzyl[(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)(propyl)carbamoyl]propanoate

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

V002-9580

Molecular Formula

C24H32N2O4S (C24 H32 N2 O4 S)

Compound Name

ethyl 3-[({benzyl[(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)(propyl)carbamoyl]propanoate

IUPAC name

ethyl 3-[({benzyl[(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)(propyl)carbamoyl]propanoate

SMILES

CCCN(CC(N(Cc1c(C)ccs1)Cc1ccccc1)=O)C(CCC(OCC)=O)=O

InChI

InChI=1S/C24H32N2O4S/c1-4-14-25(22(27)11-12-24(29)30-5-2)18-23(28)26(16-20-9-7-6-8-10-20)17-21-19(3)13-15-31-21/h6-10,13,15H,4-5,11-12,14,16-18H2,1-3H3

InChI Key

FOGDKEDXZXYHHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19755953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.673

Distribution Coefficient, logD

3.673

Water Solubility, LogSw

-3.63

Polar Surface Area

53.033

Acid Dissociation Constant (pKa)

23.17

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

References: we are preparing a list of scientific research reports with V002-9580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-9580?
Check Price and Availability of V002-9580, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V002-9580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-9580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-9580
  • 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 V002-9580 available by request