V024-7485 Screening compound: methyl 4-(2-{1-cyclobutyl-N-[(pyridin-4-yl)methyl]formamido}acetyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

V024-7485 Screening compound: methyl 4-(2-{1-cyclobutyl-N-[(pyridin-4-yl)methyl]formamido}acetyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
V024-7485 Screening compound: methyl 4-(2-{1-cyclobutyl-N-[(pyridin-4-yl)methyl]formamido}acetyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-7485
methyl 4-(2-{1-cyclobutyl-N-[(pyridin-4-yl)methyl]formamido}acetyl)-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

V024-7485

Molecular Formula

C21H25N3O4 (C21 H25 N3 O4)

Compound Name

methyl 4-(2-{1-cyclobutyl-N-[(pyridin-4-yl)methyl]formamido}acetyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

methyl 4-(2-{1-cyclobutyl-N-[(pyridin-4-yl)methyl]formamido}acetyl)-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

Cc1c(C(OC)=O)[nH]c(C)c1C(CN(Cc1ccncc1)C(C1CCC1)=O)=O

InChI

InChI=1S/C21H25N3O4/c1-13-18(14(2)23-19(13)21(27)28-3)17(25)12-24(20(26)16-5-4-6-16)11-15-7-9-22-10-8-15/h7-10,16,23H,4-6,11-12H2,1-3H3

InChI Key

JDAPZZZUTJQBAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14253423

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

383.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.282

Distribution Coefficient, logD

1.263

Water Solubility, LogSw

-1.64

Polar Surface Area

71.532

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

6.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

V024-7485 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 V024-7485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-7485?
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What is the minimum amount of V024-7485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-7485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-7485
  • 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 V024-7485 available by request