C300-0088 Screening compound: methyl 2-{3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]propanamido}benzoate

C300-0088 Screening compound: methyl 2-{3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]propanamido}benzoate
C300-0088 Screening compound: methyl 2-{3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]propanamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C300-0088
methyl 2-{3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]propanamido}benzoate

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

C300-0088

Molecular Formula

C23H23BrN2O6S (C23 H23 BrN2 O6 S)

Compound Name

methyl 2-{3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]propanamido}benzoate

IUPAC name

methyl 2-{3-[(5-bromo-1-cyclopropanecarbonyl-23-dihydro-1H-indol-6-yl)sulfonyl]propanamido}benzoate

SMILES

COC(c(cccc1)c1NC(CCS(c(cc(c(CC1)c2)N1C(C1CC1)=O)c2Br)(=O)=O)=O)=O

InChI

InChI=1S/C23H23BrN2O6S/c1-32-23(29)16-4-2-3-5-18(16)25-21(27)9-11-33(30,31)20-13-19-15(12-17(20)24)8-10-26(19)22(28)14-6-7-14/h2-5,12-14H,6-11H2,1H3,(H,25,27)

InChI Key

GTOQMVMKKGKPRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.42

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.131

Distribution Coefficient, logD

3.002

Water Solubility, LogSw

-3.62

Polar Surface Area

88.831

Acid Dissociation Constant (pKa)

7.86

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.78

C300-0088 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C300-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C300-0088?
Check Price and Availability of C300-0088, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C300-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C300-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C300-0088
  • 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 C300-0088 available by request