8010-5097 Screening compound: 2-{2-[2,4-bis(morpholine-4-sulfonyl)phenoxy]-5-methylphenyl}-2H-1,2,3-benzotriazole

8010-5097 Screening compound: 2-{2-[2,4-bis(morpholine-4-sulfonyl)phenoxy]-5-methylphenyl}-2H-1,2,3-benzotriazole
8010-5097 Screening compound: 2-{2-[2,4-bis(morpholine-4-sulfonyl)phenoxy]-5-methylphenyl}-2H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-5097
2-{2-[2,4-bis(morpholine-4-sulfonyl)phenoxy]-5-methylphenyl}-2H-1,2,3-benzotriazole

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

8010-5097

Molecular Formula

C27H29N5O7S2 (C27 H29 N5 O7 S2)

Compound Name

2-{2-[2,4-bis(morpholine-4-sulfonyl)phenoxy]-5-methylphenyl}-2H-1,2,3-benzotriazole

IUPAC name

2-{2-[24-bis(morpholine-4-sulfonyl)phenoxy]-5-methylphenyl}-2H-123-benzotriazole

SMILES

Cc(cc1)cc(-n2nc(cccc3)c3n2)c1Oc(ccc(S(N1CCOCC1)(=O)=O)c1)c1S(N1CCOCC1)(=O)=O

InChI

InChI=1S/C27H29N5O7S2/c1-20-6-8-25(24(18-20)32-28-22-4-2-3-5-23(22)29-32)39-26-9-7-21(40(33,34)30-10-14-37-15-11-30)19-27(26)41(35,36)31-12-16-38-17-13-31/h2-9,18-19H,10-17H2,1H3

InChI Key

XHSBLMUJEULASS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02110540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

599.69

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.977

Distribution Coefficient, logD

3.977

Water Solubility, LogSw

-4.13

Polar Surface Area

110.132

Acid Dissociation Constant (pKa)

27.89

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8010-5097 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 8010-5097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-5097?
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What is the minimum amount of 8010-5097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-5097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-5097
  • 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 8010-5097 available by request