V020-5872 Screening compound: ethyl 4-{2-[N-(cyclopropylmethyl)-3-methylbutanamido]propanoyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

V020-5872 Screening compound: ethyl 4-{2-[N-(cyclopropylmethyl)-3-methylbutanamido]propanoyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
V020-5872 Screening compound: ethyl 4-{2-[N-(cyclopropylmethyl)-3-methylbutanamido]propanoyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-5872
ethyl 4-{2-[N-(cyclopropylmethyl)-3-methylbutanamido]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

V020-5872

Molecular Formula

C21H32N2O4 (C21 H32 N2 O4)

Compound Name

ethyl 4-{2-[N-(cyclopropylmethyl)-3-methylbutanamido]propanoyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

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

SMILES

CCOC(c1c(C)c(C(C(C)N(CC2CC2)C(CC(C)C)=O)=O)c(C)[nH]1)=O

InChI

InChI=1S/C21H32N2O4/c1-7-27-21(26)19-13(4)18(14(5)22-19)20(25)15(6)23(11-16-8-9-16)17(24)10-12(2)3/h12,15-16,22H,7-11H2,1-6H3/t15-/m0/s1

InChI Key

PBNYZJPWRLXETL-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14255023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.698

Distribution Coefficient, logD

3.698

Water Solubility, LogSw

-4.03

Polar Surface Area

61.283

Acid Dissociation Constant (pKa)

13.14

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

V020-5872 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V020-5872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-5872?
Check Price and Availability of V020-5872, 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 V020-5872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-5872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-5872
  • 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 V020-5872 available by request