0800-1255 Screening compound: N-{5-[(E)-[(5-bromothiophen-2-yl)methylidene]amino]-1,3,4-thiadiazol-2-yl}-4-(piperidine-1-sulfonyl)benzamide

0800-1255 Screening compound: N-{5-[(E)-[(5-bromothiophen-2-yl)methylidene]amino]-1,3,4-thiadiazol-2-yl}-4-(piperidine-1-sulfonyl)benzamide
0800-1255 Screening compound: N-{5-[(E)-[(5-bromothiophen-2-yl)methylidene]amino]-1,3,4-thiadiazol-2-yl}-4-(piperidine-1-sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0800-1255
N-{5-[(E)-[(5-bromothiophen-2-yl)methylidene]amino]-1,3,4-thiadiazol-2-yl}-4-(piperidine-1-sulfonyl)benzamide

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

0800-1255

Molecular Formula

C19H18BrN5O3S3 (C19 H18 BrN5 O3 S3)

Compound Name

N-{5-[(E)-[(5-bromothiophen-2-yl)methylidene]amino]-1,3,4-thiadiazol-2-yl}-4-(piperidine-1-sulfonyl)benzamide

IUPAC name

N-{5-[(E)-[(5-bromothiophen-2-yl)methylidene]amino]-134-thiadiazol-2-yl}-4-(piperidine-1-sulfonyl)benzamide

SMILES

O=C(c(cc1)ccc1S(N1CCCCC1)(=O)=O)Nc1nnc(/N=C/c(s2)ccc2Br)s1

InChI

InChI=1S/C19H18BrN5O3S3/c20-16-9-6-14(29-16)12-21-18-23-24-19(30-18)22-17(26)13-4-7-15(8-5-13)31(27,28)25-10-2-1-3-11-25/h4-9,12H,1-3,10-11H2,(H,22,24,26)

InChI Key

VDMIDGODVHZIEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01536024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.464

Distribution Coefficient, logD

2.836

Water Solubility, LogSw

-4.20

Polar Surface Area

87.772

Acid Dissociation Constant (pKa)

5.78

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

0800-1255 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 0800-1255 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0800-1255?
Check Price and Availability of 0800-1255, 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 0800-1255 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0800-1255
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0800-1255
  • 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 0800-1255 available by request