D440-0057 Screening compound: 4-[4-(3,4-dichlorobenzenesulfonyl)-1,4-diazepane-1-carbonyl]-1,2,5-oxadiazol-3-amine

D440-0057 Screening compound: 4-[4-(3,4-dichlorobenzenesulfonyl)-1,4-diazepane-1-carbonyl]-1,2,5-oxadiazol-3-amine
D440-0057 Screening compound: 4-[4-(3,4-dichlorobenzenesulfonyl)-1,4-diazepane-1-carbonyl]-1,2,5-oxadiazol-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D440-0057
4-[4-(3,4-dichlorobenzenesulfonyl)-1,4-diazepane-1-carbonyl]-1,2,5-oxadiazol-3-amine

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

D440-0057

Molecular Formula

C14H15Cl2N5O4S (C14 H15 Cl2 N5 O4 S)

Compound Name

4-[4-(3,4-dichlorobenzenesulfonyl)-1,4-diazepane-1-carbonyl]-1,2,5-oxadiazol-3-amine

IUPAC name

4-[4-(34-dichlorobenzenesulfonyl)-14-diazepane-1-carbonyl]-125-oxadiazol-3-amine

SMILES

Nc1nonc1C(N(CCC1)CCN1S(c(cc1)cc(Cl)c1Cl)(=O)=O)=O

InChI

InChI=1S/C14H15Cl2N5O4S/c15-10-3-2-9(8-11(10)16)26(23,24)21-5-1-4-20(6-7-21)14(22)12-13(17)19-25-18-12/h2-3,8H,1,4-7H2,(H2,17,19)

InChI Key

OZIXUFGUKJPCMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.28

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.267

Distribution Coefficient, logD

2.267

Water Solubility, LogSw

-2.98

Polar Surface Area

105.822

Acid Dissociation Constant (pKa)

15.74

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with D440-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D440-0057?
Check Price and Availability of D440-0057, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D440-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D440-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D440-0057
  • 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 D440-0057 available by request