V024-8972 Screening compound: ethyl 4-{2-[acetyl(isopentyl)amino]propanoyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

V024-8972 Screening compound: ethyl 4-{2-[acetyl(isopentyl)amino]propanoyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
V024-8972 Screening compound: ethyl 4-{2-[acetyl(isopentyl)amino]propanoyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-8972
ethyl 4-{2-[acetyl(isopentyl)amino]propanoyl}-3,5-dimethyl-1H-pyrrole-2-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

V024-8972

Molecular Formula

C19H30N2O4 (C19 H30 N2 O4)

Compound Name

ethyl 4-{2-[acetyl(isopentyl)amino]propanoyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 35-dimethyl-4-{2-[N-(3-methylbutyl)acetamido]propanoyl}-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(C(C(C)N(CCC(C)C)C(C)=O)=O)c(C)[nH]1)=O

InChI

InChI=1S/C19H30N2O4/c1-8-25-19(24)17-12(4)16(13(5)20-17)18(23)14(6)21(15(7)22)10-9-11(2)3/h11,14,20H,8-10H2,1-7H3/t14-/m0/s1

InChI Key

NJGNFWQPAMYRNR-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14255032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.024

Distribution Coefficient, logD

3.024

Water Solubility, LogSw

-3.02

Polar Surface Area

62.005

Acid Dissociation Constant (pKa)

13.14

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.16

V024-8972 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V024-8972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-8972?
Check Price and Availability of V024-8972, 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 V024-8972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-8972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-8972
  • 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 V024-8972 available by request