D135-0129 Screening compound: 3-(1-{[(3-chloro-2-methylphenyl)carbamoyl]methyl}-5-(thiophen-2-yl)-1H-pyrrol-2-yl)propanoic acid

D135-0129 Screening compound: 3-(1-{[(3-chloro-2-methylphenyl)carbamoyl]methyl}-5-(thiophen-2-yl)-1H-pyrrol-2-yl)propanoic acid
D135-0129 Screening compound: 3-(1-{[(3-chloro-2-methylphenyl)carbamoyl]methyl}-5-(thiophen-2-yl)-1H-pyrrol-2-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D135-0129
3-(1-{[(3-chloro-2-methylphenyl)carbamoyl]methyl}-5-(thiophen-2-yl)-1H-pyrrol-2-yl)propanoic acid

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

D135-0129

Molecular Formula

C20H19ClN2O3S (C20 H19 ClN2 O3 S)

Compound Name

3-(1-{[(3-chloro-2-methylphenyl)carbamoyl]methyl}-5-(thiophen-2-yl)-1H-pyrrol-2-yl)propanoic acid

IUPAC name

3-(1-{[(3-chloro-2-methylphenyl)carbamoyl]methyl}-5-(thiophen-2-yl)-1H-pyrrol-2-yl)propanoic acid

SMILES

Cc(c(NC(Cn1c(-c2cccs2)ccc1CCC(O)=O)=O)ccc1)c1Cl

InChI

InChI=1S/C20H19ClN2O3S/c1-13-15(21)4-2-5-16(13)22-19(24)12-23-14(8-10-20(25)26)7-9-17(23)18-6-3-11-27-18/h2-7,9,11H,8,10,12H2,1H3,(H,22,24)(H,25,26)

InChI Key

BGTKLKOQXJERMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05846951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.529

Distribution Coefficient, logD

1.716

Water Solubility, LogSw

-4.21

Polar Surface Area

52.506

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D135-0129 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D135-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D135-0129?
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What is the minimum amount of D135-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D135-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D135-0129
  • 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 D135-0129 available by request