V009-0245 Screening compound: ethyl 3-{[4-(dimethylamino)-3-[(2-ethyl-N-propylbutanamido)methyl]phenyl]carbamoyl}propanoate

V009-0245 Screening compound: ethyl 3-{[4-(dimethylamino)-3-[(2-ethyl-N-propylbutanamido)methyl]phenyl]carbamoyl}propanoate
V009-0245 Screening compound: ethyl 3-{[4-(dimethylamino)-3-[(2-ethyl-N-propylbutanamido)methyl]phenyl]carbamoyl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-0245
ethyl 3-{[4-(dimethylamino)-3-[(2-ethyl-N-propylbutanamido)methyl]phenyl]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

V009-0245

Molecular Formula

C24H39N3O4 (C24 H39 N3 O4)

Compound Name

ethyl 3-{[4-(dimethylamino)-3-[(2-ethyl-N-propylbutanamido)methyl]phenyl]carbamoyl}propanoate

IUPAC name

ethyl 3-{[4-(dimethylamino)-3-[(2-ethyl-N-propylbutanamido)methyl]phenyl]carbamoyl}propanoate

SMILES

CCCN(Cc(cc(cc1)NC(CCC(OCC)=O)=O)c1N(C)C)C(C(CC)CC)=O

InChI

InChI=1S/C24H39N3O4/c1-7-15-27(24(30)18(8-2)9-3)17-19-16-20(11-12-21(19)26(5)6)25-22(28)13-14-23(29)31-10-4/h11-12,16,18H,7-10,13-15,17H2,1-6H3,(H,25,28)

InChI Key

PZYWMUWNKPVYAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19973328

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

433.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.204

Distribution Coefficient, logD

4.202

Water Solubility, LogSw

-4.10

Polar Surface Area

62.511

Acid Dissociation Constant (pKa)

12.19

Base Dissociation Constant (pKb)

8.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

V009-0245 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 V009-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-0245?
Check Price and Availability of V009-0245, 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 V009-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-0245
  • 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 V009-0245 available by request