D135-0121 Screening compound: 3-[5-(4-chlorophenyl)-1-{[(2,5-dimethoxyphenyl)carbamoyl]methyl}-1H-pyrrol-2-yl]propanoic acid

D135-0121 Screening compound: 3-[5-(4-chlorophenyl)-1-{[(2,5-dimethoxyphenyl)carbamoyl]methyl}-1H-pyrrol-2-yl]propanoic acid
D135-0121 Screening compound: 3-[5-(4-chlorophenyl)-1-{[(2,5-dimethoxyphenyl)carbamoyl]methyl}-1H-pyrrol-2-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D135-0121
3-[5-(4-chlorophenyl)-1-{[(2,5-dimethoxyphenyl)carbamoyl]methyl}-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

D135-0121

Molecular Formula

C23H23ClN2O5 (C23 H23 ClN2 O5)

Compound Name

3-[5-(4-chlorophenyl)-1-{[(2,5-dimethoxyphenyl)carbamoyl]methyl}-1H-pyrrol-2-yl]propanoic acid

IUPAC name

3-[5-(4-chlorophenyl)-1-{[(25-dimethoxyphenyl)carbamoyl]methyl}-1H-pyrrol-2-yl]propanoic acid

SMILES

COc(cc1)cc(NC(Cn2c(-c(cc3)ccc3Cl)ccc2CCC(O)=O)=O)c1OC

InChI

InChI=1S/C23H23ClN2O5/c1-30-18-9-11-21(31-2)19(13-18)25-22(27)14-26-17(8-12-23(28)29)7-10-20(26)15-3-5-16(24)6-4-15/h3-7,9-11,13H,8,12,14H2,1-2H3,(H,25,27)(H,28,29)

InChI Key

ZGGZJQNQJSCFAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05846943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.336

Distribution Coefficient, logD

1.522

Water Solubility, LogSw

-4.52

Polar Surface Area

66.662

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

D135-0121 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 D135-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D135-0121?
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What is the minimum amount of D135-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D135-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D135-0121
  • 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 D135-0121 available by request