1988-0894 Screening compound: 2-{[4-(propoxycarbonyl)phenyl]carbamoyl}benzoic acid

1988-0894 Screening compound: 2-{[4-(propoxycarbonyl)phenyl]carbamoyl}benzoic acid
1988-0894 Screening compound: 2-{[4-(propoxycarbonyl)phenyl]carbamoyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1988-0894
2-{[4-(propoxycarbonyl)phenyl]carbamoyl}benzoic 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

1988-0894

Molecular Formula

C18H17NO5 (C18 H17 NO5)

Compound Name

2-{[4-(propoxycarbonyl)phenyl]carbamoyl}benzoic acid

IUPAC name

2-{[4-(propoxycarbonyl)phenyl]carbamoyl}benzoic acid

SMILES

CCCOC(c(cc1)ccc1NC(c(cccc1)c1C(O)=O)=O)=O

InChI

InChI=1S/C18H17NO5/c1-2-11-24-18(23)12-7-9-13(10-8-12)19-16(20)14-5-3-4-6-15(14)17(21)22/h3-10H,2,11H2,1H3,(H,19,20)(H,21,22)

InChI Key

AVOULVHWIGAGGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01055649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.388

Distribution Coefficient, logD

-1.055

Water Solubility, LogSw

-3.55

Polar Surface Area

72.786

Acid Dissociation Constant (pKa)

2.96

Base Dissociation Constant (pKb)

-4.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

1988-0894 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 1988-0894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1988-0894?
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What is the minimum amount of 1988-0894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1988-0894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1988-0894
  • 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 1988-0894 available by request