C857-2032 Screening compound: 1-{1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}-4-(pyridin-2-yl)piperazine

C857-2032 Screening compound: 1-{1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}-4-(pyridin-2-yl)piperazine
C857-2032 Screening compound: 1-{1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}-4-(pyridin-2-yl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C857-2032
1-{1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}-4-(pyridin-2-yl)piperazine

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

C857-2032

Molecular Formula

C23H29N7OS (C23 H29 N7 OS)

Compound Name

1-{1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}-4-(pyridin-2-yl)piperazine

IUPAC name

1-{1-[5-(25-dimethyl-1H-pyrrol-1-yl)-134-thiadiazol-2-yl]piperidine-4-carbonyl}-4-(pyridin-2-yl)piperazine

SMILES

Cc1ccc(C)n1-c1nnc(N(CC2)CCC2C(N(CC2)CCN2c2ncccc2)=O)s1

InChI

InChI=1S/C23H29N7OS/c1-17-6-7-18(2)30(17)23-26-25-22(32-23)29-11-8-19(9-12-29)21(31)28-15-13-27(14-16-28)20-5-3-4-10-24-20/h3-7,10,19H,8-9,11-16H2,1-2H3

InChI Key

LLPYSXJZKHIDRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.265

Distribution Coefficient, logD

3.256

Water Solubility, LogSw

-3.07

Polar Surface Area

58.134

Acid Dissociation Constant (pKa)

21.67

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

C857-2032 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with C857-2032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C857-2032?
Check Price and Availability of C857-2032, 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 C857-2032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C857-2032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C857-2032
  • 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 C857-2032 available by request