SC70-0307 Screening compound: 5-chloro-2-{3-[8-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]oct-6-yl]-3-oxopropyl}-1H-benzimidazole

SC70-0307 Screening compound: 5-chloro-2-{3-[8-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]oct-6-yl]-3-oxopropyl}-1H-benzimidazole
SC70-0307 Screening compound: 5-chloro-2-{3-[8-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]oct-6-yl]-3-oxopropyl}-1H-benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SC70-0307
5-chloro-2-{3-[8-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]oct-6-yl]-3-oxopropyl}-1H-benzimidazole

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

SC70-0307

Molecular Formula

C22H25ClN6O (C22 H25 ClN6 O)

Compound Name

5-chloro-2-{3-[8-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]oct-6-yl]-3-oxopropyl}-1H-benzimidazole

IUPAC name

3-(5-chloro-1H-13-benzodiazol-2-yl)-1-[8-(5-cyclopropyl-1H-124-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]propan-1-one

SMILES

O=C(CCc1nc(cc(cc2)Cl)c2[nH]1)N(C1)CC2(CCC2)C1c1n[nH]c(C2CC2)n1

InChI

InChI=1S/C22H25ClN6O/c23-14-4-5-16-17(10-14)25-18(24-16)6-7-19(30)29-11-15(22(12-29)8-1-9-22)21-26-20(27-28-21)13-2-3-13/h4-5,10,13,15H,1-3,6-9,11-12H2,(H,24,25)(H,26,27,28)/t15-/m0/s1

InChI Key

NEEDYGURXNVUFN-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD32261022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.376

Distribution Coefficient, logD

3.308

Water Solubility, LogSw

-3.73

Polar Surface Area

71.162

Acid Dissociation Constant (pKa)

9.88

Base Dissociation Constant (pKb)

6.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.54

SC70-0307 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SC70-0307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC70-0307?
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What is the minimum amount of SC70-0307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC70-0307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC70-0307
  • 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 SC70-0307 available by request