C464-1277 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)propanamide

C464-1277 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)propanamide
C464-1277 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C464-1277
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)propanamide

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

C464-1277

Molecular Formula

C22H24N4O5S2 (C22 H24 N4 O5 S2)

Compound Name

N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)propanamide

IUPAC name

N-(6-methoxy-13-benzothiazol-2-yl)-3-(1-propanoyl-23-dihydro-1H-indole-5-sulfonamido)propanamide

SMILES

CCC(N(CC1)c(cc2)c1cc2S(NCCC(Nc1nc(ccc(OC)c2)c2s1)=O)(=O)=O)=O

InChI

InChI=1S/C22H24N4O5S2/c1-3-21(28)26-11-9-14-12-16(5-7-18(14)26)33(29,30)23-10-8-20(27)25-22-24-17-6-4-15(31-2)13-19(17)32-22/h4-7,12-13,23H,3,8-11H2,1-2H3,(H,24,25,27)

InChI Key

JNUGZFYDVDYZBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14760269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.335

Distribution Coefficient, logD

3.335

Water Solubility, LogSw

-3.87

Polar Surface Area

97.716

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C464-1277 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C464-1277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C464-1277?
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What is the minimum amount of C464-1277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C464-1277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C464-1277
  • 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 C464-1277 available by request