L532-1837 Screening compound: 2-({4-[5-(tert-butylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl}methyl)benzonitrile

L532-1837 Screening compound: 2-({4-[5-(tert-butylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl}methyl)benzonitrile
L532-1837 Screening compound: 2-({4-[5-(tert-butylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl}methyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound L532-1837
2-({4-[5-(tert-butylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl}methyl)benzonitrile

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

L532-1837

Molecular Formula

C28H33N7S (C28 H33 N7 S)

Compound Name

2-({4-[5-(tert-butylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl}methyl)benzonitrile

IUPAC name

2-({4-[5-(tert-butylamino)-6-(4-ethylphenyl)imidazo[21-b][134]thiadiazol-2-yl]piperazin-1-yl}methyl)benzonitrile

SMILES

CCc(cc1)ccc1-c1c(NC(C)(C)C)n2nc(N3CCN(Cc(cccc4)c4C#N)CC3)sc2n1

InChI

InChI=1S/C28H33N7S/c1-5-20-10-12-21(13-11-20)24-25(31-28(2,3)4)35-26(30-24)36-27(32-35)34-16-14-33(15-17-34)19-23-9-7-6-8-22(23)18-29/h6-13,31H,5,14-17,19H2,1-4H3

InChI Key

QRJPREIUNCPGGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27459920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.68

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.020

Distribution Coefficient, logD

5.998

Water Solubility, LogSw

-5.74

Polar Surface Area

54.377

Acid Dissociation Constant (pKa)

21.97

Base Dissociation Constant (pKb)

6.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

L532-1837 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L532-1837 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L532-1837?
Check Price and Availability of L532-1837, 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 L532-1837 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L532-1837
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L532-1837
  • 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 L532-1837 available by request