C137-1349 Screening compound: METHYL 2-{[(5-BROMO-1-PROPIONYL-2,3-DIHYDRO-1H-INDOL-6-YL)SULFONYL]AMINO}BENZOATE

C137-1349 Screening compound: METHYL 2-{[(5-BROMO-1-PROPIONYL-2,3-DIHYDRO-1H-INDOL-6-YL)SULFONYL]AMINO}BENZOATE
C137-1349 Screening compound: METHYL 2-{[(5-BROMO-1-PROPIONYL-2,3-DIHYDRO-1H-INDOL-6-YL)SULFONYL]AMINO}BENZOATE alternative view

Chemical Structure Depiction of ChemDiv screening compound C137-1349
METHYL 2-{[(5-BROMO-1-PROPIONYL-2,3-DIHYDRO-1H-INDOL-6-YL)SULFONYL]AMINO}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

C137-1349

Molecular Formula

C19H19BrN2O5S (C19 H19 BrN2 O5 S)

Compound Name

METHYL 2-{[(5-BROMO-1-PROPIONYL-2,3-DIHYDRO-1H-INDOL-6-YL)SULFONYL]AMINO}BENZOATE

IUPAC name

methyl 2-(5-bromo-1-propanoyl-23-dihydro-1H-indole-6-sulfonamido)benzoate

SMILES

CCC(N(CCc1c2)c1cc(S(Nc(cccc1)c1C(OC)=O)(=O)=O)c2Br)=O

InChI

InChI=1S/C19H19BrN2O5S/c1-3-18(23)22-9-8-12-10-14(20)17(11-16(12)22)28(25,26)21-15-7-5-4-6-13(15)19(24)27-2/h4-7,10-11,21H,3,8-9H2,1-2H3

InChI Key

REWFXWLQLHHTBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.494

Distribution Coefficient, logD

0.823

Water Solubility, LogSw

-3.73

Polar Surface Area

76.787

Acid Dissociation Constant (pKa)

4.73

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

C137-1349 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C137-1349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C137-1349?
Check Price and Availability of C137-1349, 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 C137-1349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C137-1349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C137-1349
  • 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 C137-1349 available by request