8017-9232 Screening compound: 3-[1-[(2-hydroxybenzoyl)amino]-5-(2-thienyl)-1H-pyrrol-2-yl]propanoic acid

8017-9232 Screening compound: 3-[1-[(2-hydroxybenzoyl)amino]-5-(2-thienyl)-1H-pyrrol-2-yl]propanoic acid
8017-9232 Screening compound: 3-[1-[(2-hydroxybenzoyl)amino]-5-(2-thienyl)-1H-pyrrol-2-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-9232
3-[1-[(2-hydroxybenzoyl)amino]-5-(2-thienyl)-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

8017-9232

Molecular Formula

C18H16N2O4S (C18 H16 N2 O4 S)

Compound Name

3-[1-[(2-hydroxybenzoyl)amino]-5-(2-thienyl)-1H-pyrrol-2-yl]propanoic acid

IUPAC name

3-[1-(2-hydroxybenzamido)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid

SMILES

OC(CCc1ccc(-c2cccs2)n1NC(c(cccc1)c1O)=O)=O

InChI

InChI=1S/C18H16N2O4S/c21-15-5-2-1-4-13(15)18(24)19-20-12(8-10-17(22)23)7-9-14(20)16-6-3-11-25-16/h1-7,9,11,21H,8,10H2,(H,19,24)(H,22,23)

InChI Key

LJMLRIYZAXHWTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06619260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.303

Distribution Coefficient, logD

0.489

Water Solubility, LogSw

-3.43

Polar Surface Area

73.953

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

-0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

8017-9232 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-9232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-9232?
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What is the minimum amount of 8017-9232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-9232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-9232
  • 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 8017-9232 available by request