C036-1003 Screening compound: N-(4-bromophenyl)-2-{4-[(5-bromothiophen-2-yl)sulfonyl]-1,4-diazepan-1-yl}acetamide

C036-1003 Screening compound: N-(4-bromophenyl)-2-{4-[(5-bromothiophen-2-yl)sulfonyl]-1,4-diazepan-1-yl}acetamide
C036-1003 Screening compound: N-(4-bromophenyl)-2-{4-[(5-bromothiophen-2-yl)sulfonyl]-1,4-diazepan-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C036-1003
N-(4-bromophenyl)-2-{4-[(5-bromothiophen-2-yl)sulfonyl]-1,4-diazepan-1-yl}acetamide

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

C036-1003

Molecular Formula

C17H19Br2N3O3S2 (C17 H19 Br2 N3 O3 S2)

Compound Name

N-(4-bromophenyl)-2-{4-[(5-bromothiophen-2-yl)sulfonyl]-1,4-diazepan-1-yl}acetamide

IUPAC name

N-(4-bromophenyl)-2-{4-[(5-bromothiophen-2-yl)sulfonyl]-14-diazepan-1-yl}acetamide

SMILES

O=C(CN(CCC1)CCN1S(c(s1)ccc1Br)(=O)=O)Nc(cc1)ccc1Br

InChI

InChI=1S/C17H19Br2N3O3S2/c18-13-2-4-14(5-3-13)20-16(23)12-21-8-1-9-22(11-10-21)27(24,25)17-7-6-15(19)26-17/h2-7H,1,8-12H2,(H,20,23)

InChI Key

BSHUPOLUWHTHSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.345

Distribution Coefficient, logD

4.345

Water Solubility, LogSw

-4.11

Polar Surface Area

59.989

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

References: we are preparing a list of scientific research reports with C036-1003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C036-1003?
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What is the minimum amount of C036-1003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C036-1003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C036-1003
  • 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 C036-1003 available by request