C036-1010 Screening compound: N-(4-bromo-3-methylphenyl)-2-{4-[(5-bromothiophen-2-yl)sulfonyl]-1,4-diazepan-1-yl}acetamide

C036-1010 Screening compound: N-(4-bromo-3-methylphenyl)-2-{4-[(5-bromothiophen-2-yl)sulfonyl]-1,4-diazepan-1-yl}acetamide
C036-1010 Screening compound: N-(4-bromo-3-methylphenyl)-2-{4-[(5-bromothiophen-2-yl)sulfonyl]-1,4-diazepan-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C036-1010
N-(4-bromo-3-methylphenyl)-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

C036-1010

Molecular Formula

C18H21Br2N3O3S2 (C18 H21 Br2 N3 O3 S2)

Compound Name

N-(4-bromo-3-methylphenyl)-2-{4-[(5-bromothiophen-2-yl)sulfonyl]-1,4-diazepan-1-yl}acetamide

IUPAC name

N-(4-bromo-3-methylphenyl)-2-{4-[(5-bromothiophen-2-yl)sulfonyl]-14-diazepan-1-yl}acetamide

SMILES

Cc(cc(cc1)NC(CN(CCC2)CCN2S(c(s2)ccc2Br)(=O)=O)=O)c1Br

InChI

InChI=1S/C18H21Br2N3O3S2/c1-13-11-14(3-4-15(13)19)21-17(24)12-22-7-2-8-23(10-9-22)28(25,26)18-6-5-16(20)27-18/h3-6,11H,2,7-10,12H2,1H3,(H,21,24)

InChI Key

IKEQHHKOBIHBDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

551.32

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

4.686

Distribution Coefficient, logD

4.686

Water Solubility, LogSw

-4.26

Polar Surface Area

59.989

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with C036-1010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C036-1010?
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What is the minimum amount of C036-1010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C036-1010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C036-1010
  • 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 C036-1010 available by request