C857-2211 Screening compound: N-[(2-bromophenyl)methyl]-1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide

C857-2211 Screening compound: N-[(2-bromophenyl)methyl]-1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
C857-2211 Screening compound: N-[(2-bromophenyl)methyl]-1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C857-2211
N-[(2-bromophenyl)methyl]-1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide

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

C857-2211

Molecular Formula

C21H24BrN5OS (C21 H24 BrN5 OS)

Compound Name

N-[(2-bromophenyl)methyl]-1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide

IUPAC name

N-[(2-bromophenyl)methyl]-1-[5-(25-dimethyl-1H-pyrrol-1-yl)-134-thiadiazol-2-yl]piperidine-3-carboxamide

SMILES

Cc1ccc(C)n1-c1nnc(N(CCC2)CC2C(NCc(cccc2)c2Br)=O)s1

InChI

InChI=1S/C21H24BrN5OS/c1-14-9-10-15(2)27(14)21-25-24-20(29-21)26-11-5-7-17(13-26)19(28)23-12-16-6-3-4-8-18(16)22/h3-4,6,8-10,17H,5,7,11-13H2,1-2H3,(H,23,28)/t17-/m0/s1

InChI Key

MUCUPMOIPBCEIU-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14801225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.904

Distribution Coefficient, logD

3.904

Water Solubility, LogSw

-3.82

Polar Surface Area

54.060

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

C857-2211 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCL1 Targeted Library (12200 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C857-2211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C857-2211?
Check Price and Availability of C857-2211, 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 C857-2211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C857-2211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C857-2211
  • 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 C857-2211 available by request