7645-2081 Screening compound: 3,6-dichloro-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-1-benzothiophene-2-carboxamide

7645-2081 Screening compound: 3,6-dichloro-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-1-benzothiophene-2-carboxamide
7645-2081 Screening compound: 3,6-dichloro-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7645-2081
3,6-dichloro-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-1-benzothiophene-2-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

7645-2081

Molecular Formula

C25H18Cl2N2O2S (C25 H18 Cl2 N2 O2 S)

Compound Name

3,6-dichloro-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-1-benzothiophene-2-carboxamide

IUPAC name

36-dichloro-N-[3-(57-dimethyl-13-benzoxazol-2-yl)-2-methylphenyl]-1-benzothiophene-2-carboxamide

SMILES

Cc(cc1C)cc2c1oc(-c1cccc(NC(c(sc3c4ccc(Cl)c3)c4Cl)=O)c1C)n2

InChI

InChI=1S/C25H18Cl2N2O2S/c1-12-9-13(2)22-19(10-12)29-25(31-22)16-5-4-6-18(14(16)3)28-24(30)23-21(27)17-8-7-15(26)11-20(17)32-23/h4-11H,1-3H3,(H,28,30)

InChI Key

AINOSDDJDPQHPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05799636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.982

Distribution Coefficient, logD

7.982

Water Solubility, LogSw

-6.72

Polar Surface Area

40.422

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with 7645-2081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7645-2081?
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What is the minimum amount of 7645-2081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7645-2081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7645-2081
  • 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 7645-2081 available by request