8017-6303 Screening compound: 2-(2-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)-N-tert-butylacetamide

8017-6303 Screening compound: 2-(2-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)-N-tert-butylacetamide
8017-6303 Screening compound: 2-(2-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)-N-tert-butylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6303
2-(2-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)-N-tert-butylacetamide

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

8017-6303

Molecular Formula

C21H22BrN3O3S (C21 H22 BrN3 O3 S)

Compound Name

2-(2-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)-N-tert-butylacetamide

IUPAC name

2-(2-{[(6-bromo-2H-13-benzodioxol-5-yl)methyl]sulfanyl}-1H-13-benzodiazol-1-yl)-N-tert-butylacetamide

SMILES

CC(C)(C)NC(Cn1c(SCc(cc2OCOc2c2)c2Br)nc2c1cccc2)=O

InChI

InChI=1S/C21H22BrN3O3S/c1-21(2,3)24-19(26)10-25-16-7-5-4-6-15(16)23-20(25)29-11-13-8-17-18(9-14(13)22)28-12-27-17/h4-9H,10-12H2,1-3H3,(H,24,26)

InChI Key

RWIQZBZMHQGZMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06617028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.470

Distribution Coefficient, logD

5.459

Water Solubility, LogSw

-5.35

Polar Surface Area

51.160

Acid Dissociation Constant (pKa)

14.95

Base Dissociation Constant (pKb)

5.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8017-6303 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8017-6303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6303?
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What is the minimum amount of 8017-6303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6303
  • 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 8017-6303 available by request