8013-7706 Screening compound: methyl 2-(acetylamino)-2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoropropanoate

8013-7706 Screening compound: methyl 2-(acetylamino)-2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoropropanoate
8013-7706 Screening compound: methyl 2-(acetylamino)-2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoropropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-7706
methyl 2-(acetylamino)-2-[(6-bromo-1,3-benzothiazol-2-yl)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

8013-7706

Molecular Formula

C13H11BrF3N3O3S (C13 H11 BrF3 N3 O3 S)

Compound Name

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

IUPAC name

methyl 2-[(6-bromo-13-benzothiazol-2-yl)amino]-2-acetamido-333-trifluoropropanoate

SMILES

CC(NC(C(F)(F)F)(C(OC)=O)Nc1nc(ccc(Br)c2)c2s1)=O

InChI

InChI=1S/C13H11BrF3N3O3S/c1-6(21)19-12(10(22)23-2,13(15,16)17)20-11-18-8-4-3-7(14)5-9(8)24-11/h3-5H,1-2H3,(H,18,20)(H,19,21)/t12-/m1/s1

InChI Key

PKHMOWAMNDDRME-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD03293049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.597

Distribution Coefficient, logD

3.441

Water Solubility, LogSw

-3.87

Polar Surface Area

64.633

Acid Dissociation Constant (pKa)

7.76

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.77

References: we are preparing a list of scientific research reports with 8013-7706 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-7706?
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What is the minimum amount of 8013-7706 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-7706
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-7706
  • 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 8013-7706 available by request