C183-0149 Screening compound: methyl 4-{3-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]propanamido}benzoate

C183-0149 Screening compound: methyl 4-{3-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]propanamido}benzoate
C183-0149 Screening compound: methyl 4-{3-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]propanamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C183-0149
methyl 4-{3-[(5-bromo-1-propanoyl-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

C183-0149

Molecular Formula

C22H23BrN2O6S (C22 H23 BrN2 O6 S)

Compound Name

methyl 4-{3-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]propanamido}benzoate

IUPAC name

methyl 4-{3-[(5-bromo-1-propanoyl-23-dihydro-1H-indol-6-yl)sulfonyl]propanamido}benzoate

SMILES

CCC(N(CCc1c2)c1cc(S(CCC(Nc(cc1)ccc1C(OC)=O)=O)(=O)=O)c2Br)=O

InChI

InChI=1S/C22H23BrN2O6S/c1-3-21(27)25-10-8-15-12-17(23)19(13-18(15)25)32(29,30)11-9-20(26)24-16-6-4-14(5-7-16)22(28)31-2/h4-7,12-13H,3,8-11H2,1-2H3,(H,24,26)

InChI Key

PLQXTKJLPGUPCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.4

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

3.319

Distribution Coefficient, logD

3.318

Water Solubility, LogSw

-3.76

Polar Surface Area

88.749

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

-2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

C183-0149 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C183-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C183-0149?
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What is the minimum amount of C183-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C183-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C183-0149
  • 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 C183-0149 available by request