8018-4556 Screening compound: methyl 3-({2,4-dichloro-5-[(dimethylamino)sulfonyl]benzoyl}amino)-1H-indole-2-carboxylate

8018-4556 Screening compound: methyl 3-({2,4-dichloro-5-[(dimethylamino)sulfonyl]benzoyl}amino)-1H-indole-2-carboxylate
8018-4556 Screening compound: methyl 3-({2,4-dichloro-5-[(dimethylamino)sulfonyl]benzoyl}amino)-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4556
methyl 3-({2,4-dichloro-5-[(dimethylamino)sulfonyl]benzoyl}amino)-1H-indole-2-carboxylate

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

8018-4556

Molecular Formula

C19H17Cl2N3O5S (C19 H17 Cl2 N3 O5 S)

Compound Name

methyl 3-({2,4-dichloro-5-[(dimethylamino)sulfonyl]benzoyl}amino)-1H-indole-2-carboxylate

IUPAC name

methyl 3-[24-dichloro-5-(dimethylsulfamoyl)benzamido]-1H-indole-2-carboxylate

SMILES

CN(C)S(c(cc(C(Nc1c(C(OC)=O)[nH]c2c1cccc2)=O)c(Cl)c1)c1Cl)(=O)=O

InChI

InChI=1S/C19H17Cl2N3O5S/c1-24(2)30(27,28)15-8-11(12(20)9-13(15)21)18(25)23-16-10-6-4-5-7-14(10)22-17(16)19(26)29-3/h4-9,22H,1-3H3,(H,23,25)

InChI Key

GGQNDBNFEQFBKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.33

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.805

Distribution Coefficient, logD

-0.164

Water Solubility, LogSw

-3.87

Polar Surface Area

86.891

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.79

8018-4556 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-4556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4556?
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What is the minimum amount of 8018-4556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4556
  • 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 8018-4556 available by request