1037-1135 Screening compound: 4-amino-N-(6-{[2-(4-aminobenzamido)-1,3-benzothiazol-6-yl]methyl}-1,3-benzothiazol-2-yl)benzamide

1037-1135 Screening compound: 4-amino-N-(6-{[2-(4-aminobenzamido)-1,3-benzothiazol-6-yl]methyl}-1,3-benzothiazol-2-yl)benzamide
1037-1135 Screening compound: 4-amino-N-(6-{[2-(4-aminobenzamido)-1,3-benzothiazol-6-yl]methyl}-1,3-benzothiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1037-1135
4-amino-N-(6-{[2-(4-aminobenzamido)-1,3-benzothiazol-6-yl]methyl}-1,3-benzothiazol-2-yl)benzamide

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

1037-1135

Molecular Formula

C29H22N6O2S2 (C29 H22 N6 O2 S2)

Compound Name

4-amino-N-(6-{[2-(4-aminobenzamido)-1,3-benzothiazol-6-yl]methyl}-1,3-benzothiazol-2-yl)benzamide

IUPAC name

4-amino-N-(6-{[2-(4-aminobenzamido)-13-benzothiazol-6-yl]methyl}-13-benzothiazol-2-yl)benzamide

SMILES

Nc(cc1)ccc1C(Nc1nc(ccc(Cc(cc2)cc3c2nc(NC(c(cc2)ccc2N)=O)s3)c2)c2s1)=O

InChI

InChI=1S/C29H22N6O2S2/c30-20-7-3-18(4-8-20)26(36)34-28-32-22-11-1-16(14-24(22)38-28)13-17-2-12-23-25(15-17)39-29(33-23)35-27(37)19-5-9-21(31)10-6-19/h1-12,14-15H,13,30-31H2,(H,32,34,36)(H,33,35,37)

InChI Key

MNDXOSJMTWXGDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00616532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.174

Distribution Coefficient, logD

5.172

Water Solubility, LogSw

-5.49

Polar Surface Area

107.284

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.40

1037-1135 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 1037-1135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1037-1135?
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What is the minimum amount of 1037-1135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1037-1135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1037-1135
  • 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 1037-1135 available by request