V020-5848 Screening compound: ethyl 4-{2-[N-(cyclopropylmethyl)-1-(thiophen-2-yl)formamido]propanoyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

V020-5848 Screening compound: ethyl 4-{2-[N-(cyclopropylmethyl)-1-(thiophen-2-yl)formamido]propanoyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
V020-5848 Screening compound: ethyl 4-{2-[N-(cyclopropylmethyl)-1-(thiophen-2-yl)formamido]propanoyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-5848
ethyl 4-{2-[N-(cyclopropylmethyl)-1-(thiophen-2-yl)formamido]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

V020-5848

Molecular Formula

C21H26N2O4S (C21 H26 N2 O4 S)

Compound Name

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

IUPAC name

ethyl 4-{2-[N-(cyclopropylmethyl)-1-(thiophen-2-yl)formamido]propanoyl}-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(C(C(C)N(CC2CC2)C(c2cccs2)=O)=O)c(C)[nH]1)=O

InChI

InChI=1S/C21H26N2O4S/c1-5-27-21(26)18-12(2)17(13(3)22-18)19(24)14(4)23(11-15-8-9-15)20(25)16-7-6-10-28-16/h6-7,10,14-15,22H,5,8-9,11H2,1-4H3/t14-/m0/s1

InChI Key

RJLORCKWMQRJHO-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14255020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.51

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

3.801

Distribution Coefficient, logD

3.801

Water Solubility, LogSw

-4.08

Polar Surface Area

62.557

Acid Dissociation Constant (pKa)

13.14

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

V020-5848 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 V020-5848 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-5848?
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What is the minimum amount of V020-5848 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-5848
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-5848
  • 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 V020-5848 available by request