8013-7195 Screening compound: methyl 2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoropropanoate

8013-7195 Screening compound: methyl 2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoropropanoate
8013-7195 Screening compound: methyl 2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoropropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-7195
methyl 2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoropropanoate

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

8013-7195

Molecular Formula

C18H11BrCl2F3N3O3S (C18 H11 BrCl2 F3 N3 O3 S)

Compound Name

methyl 2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoropropanoate

IUPAC name

methyl 2-[(6-bromo-13-benzothiazol-2-yl)amino]-2-[(24-dichlorophenyl)formamido]-333-trifluoropropanoate

SMILES

COC(C(C(F)(F)F)(NC(c(ccc(Cl)c1)c1Cl)=O)Nc1nc(ccc(Br)c2)c2s1)=O

InChI

InChI=1S/C18H11BrCl2F3N3O3S/c1-30-15(29)17(18(22,23)24,26-14(28)10-4-3-9(20)7-11(10)21)27-16-25-12-5-2-8(19)6-13(12)31-16/h2-7H,1H3,(H,25,27)(H,26,28)/t17-/m1/s1

InChI Key

IMUKLKXDSKTNKB-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD03231244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

557.17

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.424

Distribution Coefficient, logD

3.148

Water Solubility, LogSw

-6.32

Polar Surface Area

64.462

Acid Dissociation Constant (pKa)

4.12

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.67

References: we are preparing a list of scientific research reports with 8013-7195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-7195?
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What is the minimum amount of 8013-7195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-7195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-7195
  • 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 8013-7195 available by request